2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine

C18H21ClN2 — CID 61255545

IUPAC2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
SMILESClCc1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C18H21ClN2/c19-13-17-6-7-18(20-14-17)21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,14,16H,8-13H2
InChIKeyAVBJVZUVDVHWPZ-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine

2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine (PubChem CID 61255545) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
PubChem CID61255545
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine
SMILESClCc1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C18H21ClN2/c19-13-17-6-7-18(20-14-17)21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,14,16H,8-13H2
InChIKeyAVBJVZUVDVHWPZ-UHFFFAOYSA-N
XLogP4.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
[6-(4-benzylpiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66456001

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine (CID 61255545) is 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine is ClCc1ccc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine?
The InChIKey is AVBJVZUVDVHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-13-17-6-7-18(20-14-17)21-10-8-16(9-11-21)12-15-4-2-1-3-5-15/h1-7,14,16H,8-13H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine?
2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine has a molecular weight of 300.83 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-(chloromethyl)pyridine is sourced from PubChem (CID 61255545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).