4-[(1-Methylpiperidin-4-yl)oxy]aniline - CAS 358789-72-7

Catalog:	BB022787
Product Name:	4-[(1-Methylpiperidin-4-yl)oxy]aniline
CAS:	358789-72-7
Synonyms:	4-(1-methylpiperidin-4-yl)oxyaniline

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(1-methylpiperidin-4-yl)oxyaniline
Description:	4-[(1-Methylpiperidin-4-yl)oxy]aniline (CAS# 358789-72-7) is used in preparation of Phenylacetamides as inhibitors of ROCK.
Molecular Weight:	206.28
Molecular Formula:	C12H18N2O
Canonical SMILES:	CN1CCC(CC1)OC2=CC=C(C=C2)N
InChI:	InChI=1S/C12H18N2O/c1-14-8-6-12(7-9-14)15-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChI Key:	CIVRCZPEYZHQDI-UHFFFAOYSA-N
Boiling Point:	337.62 °C at 760 mmHg
Density:	1.09 g/cm³
MDL:	MFCD04970985
LogP:	2.26090

Publication Number	Title	Priority Date
WO-2021156636-A1	Triazole derivatives with antifungal activity	20200205
US-2019263821-A1	5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof	20180223
WO-2019165192-A1	5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof	20180223
US-10934297-B2	5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof	20180223
KR-20180088318-A	Fused pyrimidine derivative as multi-kinase inhibitor	20170126

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Related Functional Groups

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.141913202
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.141913202
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8