1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine

C24H36N6O — CID 1443548

IUPAC1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H36N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h7-8,13-14,19-20,23H,2-6,9-12,15-18H2,1H3/t23-/m0/s1
InChIKeyZHFOEYOMBYJGED-QHCPKHFHSA-N
MW424.59 g/mol
LogP3.84
Rot. Bonds6

About 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine

1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine (PubChem CID 1443548) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
PubChem CID1443548
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H36N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h7-8,13-14,19-20,23H,2-6,9-12,15-18H2,1H3/t23-/m0/s1
InChIKeyZHFOEYOMBYJGED-QHCPKHFHSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 175654254
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine (CID 1443548) is 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is ZHFOEYOMBYJGED-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H36N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h7-8,13-14,19-20,23H,2-6,9-12,15-18H2,1H3/t23-/m0/s1.
What are the key properties of 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine?
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 424.59 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1443548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).