2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine

C17H20ClN3 — CID 115473666

IUPAC2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H20ClN3/c18-16-7-6-15(19)17(20-16)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12,19H2
InChIKeyMARMCMHATZZSDY-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine

2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine (PubChem CID 115473666) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
PubChem CID115473666
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H20ClN3/c18-16-7-6-15(19)17(20-16)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12,19H2
InChIKeyMARMCMHATZZSDY-UHFFFAOYSA-N
XLogP3.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
6-(4-benzylpiperidin-1-yl)-5-bromopyridin-3-amine
CID 79530696
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 115473660

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine (CID 115473666) is 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine is Nc1ccc(Cl)nc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine?
The InChIKey is MARMCMHATZZSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-16-7-6-15(19)17(20-16)21-10-8-14(9-11-21)12-13-4-2-1-3-5-13/h1-7,14H,8-12,19H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine?
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine has a molecular weight of 301.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine is sourced from PubChem (CID 115473666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).