2-[(3-chloropiperidin-1-yl)methyl]pyridine

C11H15ClN2 — CID 63386992

IUPAC2-[(3-chloropiperidin-1-yl)methyl]pyridine
SMILESClC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H15ClN2/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeySPPVCIQHXZGDSY-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.28
Rot. Bonds2

About 2-[(3-chloropiperidin-1-yl)methyl]pyridine

2-[(3-chloropiperidin-1-yl)methyl]pyridine (PubChem CID 63386992) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-[(3-chloropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3-chloropiperidin-1-yl)methyl]pyridine
PubChem CID63386992
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-[(3-chloropiperidin-1-yl)methyl]pyridine
SMILESClC1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C11H15ClN2/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeySPPVCIQHXZGDSY-UHFFFAOYSA-N
XLogP2.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.28
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

(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
CID 59694740
CID 59694740
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(3-chloropiperidin-1-yl)methyl]pyridine (CID 63386992) is 2-[(3-chloropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(3-chloropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(3-chloropiperidin-1-yl)methyl]pyridine is ClC1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-[(3-chloropiperidin-1-yl)methyl]pyridine?
The InChIKey is SPPVCIQHXZGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-10-4-3-7-14(8-10)9-11-5-1-2-6-13-11/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 2-[(3-chloropiperidin-1-yl)methyl]pyridine?
2-[(3-chloropiperidin-1-yl)methyl]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 63386992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).