3-chloro-2-(piperidin-4-ylmethyl)pyridine

C11H15ClN2 — CID 115008688

IUPAC3-chloro-2-(piperidin-4-ylmethyl)pyridine
SMILESClc1cccnc1CC1CCNCC1
InChIInChI=1S/C11H15ClN2/c12-10-2-1-5-14-11(10)8-9-3-6-13-7-4-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyCXMQVTMEQNMTQD-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.28
Rot. Bonds2

About 3-chloro-2-(piperidin-4-ylmethyl)pyridine

3-chloro-2-(piperidin-4-ylmethyl)pyridine (PubChem CID 115008688) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-2-(piperidin-4-ylmethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(piperidin-4-ylmethyl)pyridine
PubChem CID115008688
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-2-(piperidin-4-ylmethyl)pyridine
SMILESClc1cccnc1CC1CCNCC1
InChIInChI=1S/C11H15ClN2/c12-10-2-1-5-14-11(10)8-9-3-6-13-7-4-9/h1-2,5,9,13H,3-4,6-8H2
InChIKeyCXMQVTMEQNMTQD-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(piperidin-4-ylmethyl)pyridine
CID 103840872
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide
CID 71639809
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
(3-piperidin-4-yl-2-pyridinyl)methanamine
CID 152769821

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(piperidin-4-ylmethyl)pyridine?
The IUPAC name of 3-chloro-2-(piperidin-4-ylmethyl)pyridine (CID 115008688) is 3-chloro-2-(piperidin-4-ylmethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(piperidin-4-ylmethyl)pyridine?
The canonical SMILES for 3-chloro-2-(piperidin-4-ylmethyl)pyridine is Clc1cccnc1CC1CCNCC1.
What is the InChIKey of 3-chloro-2-(piperidin-4-ylmethyl)pyridine?
The InChIKey is CXMQVTMEQNMTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-10-2-1-5-14-11(10)8-9-3-6-13-7-4-9/h1-2,5,9,13H,3-4,6-8H2.
What are the key properties of 3-chloro-2-(piperidin-4-ylmethyl)pyridine?
3-chloro-2-(piperidin-4-ylmethyl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(piperidin-4-ylmethyl)pyridine is sourced from PubChem (CID 115008688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).