1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine

C21H32N6O — CID 3208691

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)cc1
InChIInChI=1S/C21H32N6O/c1-16(2)20(21-22-23-24-27(21)18-6-4-5-7-18)26-14-12-25(13-15-26)17-8-10-19(28-3)11-9-17/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyKTUZEYVVCYLITL-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.32
Rot. Bonds6

About 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 3208691) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
PubChem CID3208691
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)cc1
InChIInChI=1S/C21H32N6O/c1-16(2)20(21-22-23-24-27(21)18-6-4-5-7-18)26-14-12-25(13-15-26)17-8-10-19(28-3)11-9-17/h8-11,16,18,20H,4-7,12-15H2,1-3H3
InChIKeyKTUZEYVVCYLITL-UHFFFAOYSA-N
XLogP3.32
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
Ethyl 2-[5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]tetrazol-1-yl]acetate
CID 1438461
1-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-[(2-Methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
CID 656175
1-(4-Methoxyphenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 1438460

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine (CID 3208691) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)cc1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is KTUZEYVVCYLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16(2)20(21-22-23-24-27(21)18-6-4-5-7-18)26-14-12-25(13-15-26)17-8-10-19(28-3)11-9-17/h8-11,16,18,20H,4-7,12-15H2,1-3H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 384.53 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 3208691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).