3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine

C14H21ClN2 — CID 170589062

IUPAC3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(CN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11(2)14-13(15)8-12(9-16-14)10-17-6-4-3-5-7-17/h8-9,11H,3-7,10H2,1-2H3
InChIKeySDFQEYQSKXCGNG-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.84
Rot. Bonds3

About 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine

3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine (PubChem CID 170589062) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
PubChem CID170589062
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(CN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-11(2)14-13(15)8-12(9-16-14)10-17-6-4-3-5-7-17/h8-9,11H,3-7,10H2,1-2H3
InChIKeySDFQEYQSKXCGNG-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine
CID 130184580
3-ethyl-5-(pyrrolidin-1-ylmethyl)pyridine
CID 89167952
[3-chloro-4-(hydroxymethyl)phenyl]methanol;[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanol;cyclopentane
CID 163701313
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine?
The IUPAC name of 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine (CID 170589062) is 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine?
The canonical SMILES for 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine is CC(C)c1ncc(CN2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine?
The InChIKey is SDFQEYQSKXCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(2)14-13(15)8-12(9-16-14)10-17-6-4-3-5-7-17/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine?
3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine has a molecular weight of 252.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(piperidin-1-ylmethyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 170589062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).