4-(4-benzylpiperidin-1-yl)-2-chloropyridine

C17H19ClN2 — CID 102824003

IUPAC4-(4-benzylpiperidin-1-yl)-2-chloropyridine
SMILESClc1cc(N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H19ClN2/c18-17-13-16(6-9-19-17)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2
InChIKeyLTVFWQRNYMEGHY-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.19
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)-2-chloropyridine

4-(4-benzylpiperidin-1-yl)-2-chloropyridine (PubChem CID 102824003) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-chloropyridine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-chloropyridine
PubChem CID102824003
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-chloropyridine
SMILESClc1cc(N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C17H19ClN2/c18-17-13-16(6-9-19-17)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2
InChIKeyLTVFWQRNYMEGHY-UHFFFAOYSA-N
XLogP4.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
CID 25139391
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-chloropyridine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-chloropyridine (CID 102824003) is 4-(4-benzylpiperidin-1-yl)-2-chloropyridine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-chloropyridine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-chloropyridine is Clc1cc(N2CCC(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-chloropyridine?
The InChIKey is LTVFWQRNYMEGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-17-13-16(6-9-19-17)20-10-7-15(8-11-20)12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-chloropyridine?
4-(4-benzylpiperidin-1-yl)-2-chloropyridine has a molecular weight of 286.81 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-chloropyridine is sourced from PubChem (CID 102824003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).