N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine

C18H22ClN3 — CID 141003031

IUPACN-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESClc1ccc(N(CCN2CCCCC2)c2ccccn2)cc1
InChIInChI=1S/C18H22ClN3/c19-16-7-9-17(10-8-16)22(18-6-2-3-11-20-18)15-14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-15H2
InChIKeyBPHIDPYYCGKDEW-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.36
Rot. Bonds5

About N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine

N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine (PubChem CID 141003031) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
PubChem CID141003031
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC NameN-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
SMILESClc1ccc(N(CCN2CCCCC2)c2ccccn2)cc1
InChIInChI=1S/C18H22ClN3/c19-16-7-9-17(10-8-16)22(18-6-2-3-11-20-18)15-14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-15H2
InChIKeyBPHIDPYYCGKDEW-UHFFFAOYSA-N
XLogP4.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 23882701
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
CID 67789872
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
N-(4-tert-butylphenyl)-3-chloro-N-(2-pyrrolidin-1-ylethyl)aniline;hydrochloride
CID 3051650
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800
bis(but-2-enedioic acid);N-cyclohexyl-4-[3-(4-fluoro-N-pyridin-2-ylanilino)propyl]piperazine-1-carboxamide
CID 70260202
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
1-phenyl-1-(2-piperidin-1-ylethyl)hydrazine
CID 3028753
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 71168693
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine
CID 134927553

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine (CID 141003031) is N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine is Clc1ccc(N(CCN2CCCCC2)c2ccccn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
The InChIKey is BPHIDPYYCGKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-16-7-9-17(10-8-16)22(18-6-2-3-11-20-18)15-14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine?
N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine has a molecular weight of 315.85 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 141003031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).