4-(1-Methyl-4-piperidyl)aniline - CAS 454482-12-3

Catalog:	BB025870
Product Name:	4-(1-Methyl-4-piperidyl)aniline
CAS:	454482-12-3
Synonyms:	4-(1-methyl-4-piperidinyl)aniline; 4-(1-methylpiperidin-4-yl)aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(1-methylpiperidin-4-yl)aniline
Description:	4-(1-Methyl-4-piperidyl)aniline (CAS# 454482-12-3) is used for preparation of pyridopyrimidinones as antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors and pharmacokinetics.
Molecular Weight:	190.28
Molecular Formula:	C12H18N2
Canonical SMILES:	CN1CCC(CC1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C12H18N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-5,11H,6-9,13H2,1H3
InChI Key:	BNYVBWBKNDWCQW-UHFFFAOYSA-N
Boiling Point:	316.824 °C at 760 mmHg
Density:	1.034 g/cm³
MDL:	MFCD06804550
LogP:	2.59710

Publication Number	Title	Priority Date
WO-2021100029-A2	Prodrugs of fulvestrant	20191124
WO-2021017384-A1	Dihydro-pyrrolo-pyrimidine selective jak2 inhibitor	20190730
WO-2021003314-A1	Heterocyclic compounds as kinase inhibitors	20190702
WO-2020181026-A1	Compounds for treating neurodegenerative diseases and cancers	20190305
WO-2020140052-A1	Cyclin-dependent kinase inhibitors	20181228

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.146998583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.146998583
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8