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

C16H24ClN3 — CID 79256164

IUPAC4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
SMILESClc1ccnc(CN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H24ClN3/c17-14-4-7-18-15(12-14)13-19-10-5-16(6-11-19)20-8-2-1-3-9-20/h4,7,12,16H,1-3,5-6,8-11,13H2
InChIKeyFWFWSXFVWJZPIV-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.19
Rot. Bonds3

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

4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine (PubChem CID 79256164) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
PubChem CID79256164
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
SMILESClc1ccnc(CN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H24ClN3/c17-14-4-7-18-15(12-14)13-19-10-5-16(6-11-19)20-8-2-1-3-9-20/h4,7,12,16H,1-3,5-6,8-11,13H2
InChIKeyFWFWSXFVWJZPIV-UHFFFAOYSA-N
XLogP3.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63887071
2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 79254918
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
3-[(4-chloro-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314484
1-[(4-chloro-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107404146
N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79251355
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
4-bromo-2-(piperidin-1-ylmethyl)pyridine
CID 91754381
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
CID 46958258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine (CID 79256164) is 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine is Clc1ccnc(CN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine?
The InChIKey is FWFWSXFVWJZPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-14-4-7-18-15(12-14)13-19-10-5-16(6-11-19)20-8-2-1-3-9-20/h4,7,12,16H,1-3,5-6,8-11,13H2.
What are the key properties of 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine?
4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine has a molecular weight of 293.84 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 79256164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).