1-(1-Naphthylmethyl)piperazine - CAS 40675-81-8

Catalog:	BB024616
Product Name:	1-(1-Naphthylmethyl)piperazine
CAS:	40675-81-8
Synonyms:	1-(naphthalen-1-ylmethyl)piperazine

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Computed Properties

IUPAC Name:	1-(naphthalen-1-ylmethyl)piperazine
Description:	1-(1-Naphthylmethyl)piperazine (CAS# 40675-81-8) is a compound useful in organic synthesis.
Molecular Weight:	226.32
Molecular Formula:	C15H18N2
Canonical SMILES:	C1CN(CCN1)CC2=CC=CC3=CC=CC=C32
InChI:	InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2
InChI Key:	HGYDREHWXXUUIS-UHFFFAOYSA-N
Boiling Point:	373.9 °C at 760 mmHg
Melting Point:	63-67 °C (lit.)
Purity:	> 98 %
Density:	1.098 g/cm³
Appearance:	White to brown powder or crystals
MDL:	MFCD01314185
LogP:	2.51170

Publication Number	Title	Priority Date
WO-2021133748-A1	Substituted quinolinonyl piperazine compounds useful as t cell activators	20191223
WO-2021055690-A1	Peptide-conjugated prodrugs	20190918
US-2020368256-A1	Treatment for Bacterial Infections	20190523
EP-3796900-A1	Triterpene amine derivatives	20180629
US-2021253627-A1	Triterpene amine derivatives	20180629

PMID	Publication Date	Title	Journal
22741576	20121001	Effects of efflux pump inhibitors on erythromycin, ciprofloxacin, and tetracycline resistance in Campylobacter spp. isolates	Microbial drug resistance (Larchmont, N.Y.)
22345599	20120601	Effect of 1-(1-naphthylmethyl)-piperazine on antimicrobial agent susceptibility in multidrug-resistant isogenic and veterinary Escherichia coli field strains	Journal of medical microbiology
22361460	20120601	Involvement of efflux mechanisms in biocide resistance of Campylobacter jejuni and Campylobacter coli	Journal of medical microbiology
21974858	20120101	Prevalence of efflux-mediated ciprofloxacin and levofloxacin resistance in recent clinical isolates of Pseudomonas aeruginosa and its reversal by the efflux pump inhibitors 1-(1-naphthylmethyl)-piperazine and phenylalanine-arginine-β-naphthylamide	International journal of antimicrobial agents
21996406	20120101	Imipenem: a potent inducer of multidrug resistance in Acinetobacter baumannii	International journal of antimicrobial agents

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GHS Hazard Statement:	H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.146998583
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5