1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride

C25H32ClFN6O — CID 175654254

IUPAC1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccccc1C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C25H31FN6O.ClH/c1-33-23-9-5-4-8-22(23)24(31-16-14-30(15-17-31)21-6-2-3-7-21)25-27-28-29-32(25)18-19-10-12-20(26)13-11-19;/h4-5,8-13,21,24H,2-3,6-7,14-18H2,1H3;1H
InChIKeyFZHLZYFZAWOZNY-UHFFFAOYSA-N
MW487.02 g/mol
LogP3.94
Rot. Bonds7

About 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride

1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 175654254) has the molecular formula C25H32ClFN6O and a molecular weight of 487.02 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID175654254
Molecular FormulaC25H32ClFN6O
Molecular Weight487.02 g/mol
Exact Mass486.23
IUPAC Name1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccccc1C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1.Cl
InChIInChI=1S/C25H31FN6O.ClH/c1-33-23-9-5-4-8-22(23)24(31-16-14-30(15-17-31)21-6-2-3-7-21)25-27-28-29-32(25)18-19-10-12-20(26)13-11-19;/h4-5,8-13,21,24H,2-3,6-7,14-18H2,1H3;1H
InChIKeyFZHLZYFZAWOZNY-UHFFFAOYSA-N
XLogP3.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-cyclohexyl-4-[(S)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 1446680
1-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446661
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-cyclopentyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-fluorophenyl)methyl]piperazine
CID 3210602
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride (CID 175654254) is 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride is COc1ccccc1C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is FZHLZYFZAWOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O.ClH/c1-33-23-9-5-4-8-22(23)24(31-16-14-30(15-17-31)21-6-2-3-7-21)25-27-28-29-32(25)18-19-10-12-20(26)13-11-19;/h4-5,8-13,21,24H,2-3,6-7,14-18H2,1H3;1H.
What are the key properties of 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 487.02 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 175654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).