1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine

C23H28N6 — CID 1443350

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
SMILESc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t22-/m0/s1
InChIKeyBCEMHADMTHMVGL-QFIPXVFZSA-N
MW388.52 g/mol
LogP3.70
Rot. Bonds5

About 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine

1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine (PubChem CID 1443350) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
PubChem CID1443350
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
SMILESc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t22-/m0/s1
InChIKeyBCEMHADMTHMVGL-QFIPXVFZSA-N
XLogP3.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
2-[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 3201753
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 3208714
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine (CID 1443350) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine is c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
The InChIKey is BCEMHADMTHMVGL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N6/c1-3-9-19(10-4-1)22(23-24-25-26-29(23)21-13-7-8-14-21)28-17-15-27(16-18-28)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t22-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine has a molecular weight of 388.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 1443350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).