1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C21H28ClN3O — CID 120910845

IUPAC1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1cc(CN2CCNCC2c2ccncc2)cc(OC2CCCC2)c1
InChIInChI=1S/C21H27N3O.ClH/c1-2-6-19(5-1)25-20-7-3-4-17(14-20)16-24-13-12-23-15-21(24)18-8-10-22-11-9-18;/h3-4,7-11,14,19,21,23H,1-2,5-6,12-13,15-16H2;1H
InChIKeyDTZJBSDPFGZRJQ-UHFFFAOYSA-N
MW373.93 g/mol
LogP3.97
Rot. Bonds5

About 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910845) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910845
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCl.c1cc(CN2CCNCC2c2ccncc2)cc(OC2CCCC2)c1
InChIInChI=1S/C21H27N3O.ClH/c1-2-6-19(5-1)25-20-7-3-4-17(14-20)16-24-13-12-23-15-21(24)18-8-10-22-11-9-18;/h3-4,7-11,14,19,21,23H,1-2,5-6,12-13,15-16H2;1H
InChIKeyDTZJBSDPFGZRJQ-UHFFFAOYSA-N
XLogP3.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910845) is 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is Cl.c1cc(CN2CCNCC2c2ccncc2)cc(OC2CCCC2)c1.
What is the InChIKey of 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is DTZJBSDPFGZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.ClH/c1-2-6-19(5-1)25-20-7-3-4-17(14-20)16-24-13-12-23-15-21(24)18-8-10-22-11-9-18;/h3-4,7-11,14,19,21,23H,1-2,5-6,12-13,15-16H2;1H.
What are the key properties of 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).