4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine

C14H21ClN2 — CID 83053677

IUPAC4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C14H21ClN2/c1-2-5-14-6-3-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3
InChIKeySWCILSIRNPELLS-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.89
Rot. Bonds4

About 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine

4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine (PubChem CID 83053677) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
PubChem CID83053677
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C14H21ClN2/c1-2-5-14-6-3-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3
InChIKeySWCILSIRNPELLS-UHFFFAOYSA-N
XLogP3.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 177189178
1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82747148
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 116519073
4-chloro-2-[(2,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 130834648
[2-[(2-ethylpiperidin-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79260107
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
N-methyl-1-[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83062407
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 83046329
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine (CID 83053677) is 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine is CCCC1CCCCN1Cc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine?
The InChIKey is SWCILSIRNPELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-5-14-6-3-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3.
What are the key properties of 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine?
4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 83053677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).