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

C21H32N6O — CID 3208678

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H32N6O/c1-3-8-19(21-22-23-24-27(21)17-9-4-5-10-17)26-15-13-25(14-16-26)18-11-6-7-12-20(18)28-2/h6-7,11-12,17,19H,3-5,8-10,13-16H2,1-2H3
InChIKeyAICRRZABQMKHJX-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.46
Rot. Bonds7

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

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 3208678) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID3208678
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H32N6O/c1-3-8-19(21-22-23-24-27(21)17-9-4-5-10-17)26-15-13-25(14-16-26)18-11-6-7-12-20(18)28-2/h6-7,11-12,17,19H,3-5,8-10,13-16H2,1-2H3
InChIKeyAICRRZABQMKHJX-UHFFFAOYSA-N
XLogP3.46
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazine chloride
CID 53313628
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 647944
1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
CID 3208700
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1443305
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine (CID 3208678) is 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine is CCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is AICRRZABQMKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-8-19(21-22-23-24-27(21)17-9-4-5-10-17)26-15-13-25(14-16-26)18-11-6-7-12-20(18)28-2/h6-7,11-12,17,19H,3-5,8-10,13-16H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 384.53 g/mol, XLogP of 3.46, 7 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)butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3208678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).