1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine

C15H22ClN3 — CID 79256003

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccnc(CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C15H22ClN3/c16-13-5-6-17-14(11-13)12-18-7-9-19(10-8-18)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12H2
InChIKeyFMZGGCFDBALGCF-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.80
Rot. Bonds3

About 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine

1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine (PubChem CID 79256003) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
PubChem CID79256003
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccnc(CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C15H22ClN3/c16-13-5-6-17-14(11-13)12-18-7-9-19(10-8-18)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12H2
InChIKeyFMZGGCFDBALGCF-UHFFFAOYSA-N
XLogP2.80
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]pyridine
CID 79256164
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
2-[1-[(4-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 79254918
1-[(4-chloro-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107404146
1-[(4-chloro-2-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82747148
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
3-[(4-chloro-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314484
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine (CID 79256003) is 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine is Clc1ccnc(CN2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is FMZGGCFDBALGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-13-5-6-17-14(11-13)12-18-7-9-19(10-8-18)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine?
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 279.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 79256003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).