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

C17H20ClN3 — CID 104918666

IUPAC2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20ClN3/c18-16-11-15(19)12-17(20-16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,19,20)
InChIKeyFNIJFSWUFBUGLS-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.78
Rot. Bonds3

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

2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine (PubChem CID 104918666) 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-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
PubChem CID104918666
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
SMILESNc1cc(Cl)nc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C17H20ClN3/c18-16-11-15(19)12-17(20-16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,19,20)
InChIKeyFNIJFSWUFBUGLS-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-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
CID 61255545
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
4-(4-benzylpiperidin-1-yl)-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-amine
CID 15435628
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
2-(4-benzylpiperidin-1-yl)-3-chloroaniline
CID 43346324
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine (CID 104918666) is 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine is Nc1cc(Cl)nc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine?
The InChIKey is FNIJFSWUFBUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-16-11-15(19)12-17(20-16)21-8-6-14(7-9-21)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,19,20).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine?
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-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-4-amine is sourced from PubChem (CID 104918666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).