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

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
5-[4-(3,4-Dichlorophenyl)piperazin-1-Yl]pyrimidine-2,4-Diamine
CID 122164615
N-(3,4-dichlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1326396
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865600
N'-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-N-cyanopyridine-2-carboximidamide
CID 56971032
N-(3-chlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 797484
1-[(6-Chloro-3-pyridinyl)methyl]-4-phenylpiperazine
CID 1473522

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).