1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine

C24H29FN6 — CID 3208818

IUPAC1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN6/c25-22-13-7-6-12-21(22)23(24-26-27-28-31(24)20-10-4-5-11-20)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2
InChIKeyVSZPDICGZMCULH-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine

1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine (PubChem CID 3208818) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
PubChem CID3208818
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1C(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29FN6/c25-22-13-7-6-12-21(22)23(24-26-27-28-31(24)20-10-4-5-11-20)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2
InChIKeyVSZPDICGZMCULH-UHFFFAOYSA-N
XLogP3.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-prop-2-enylpiperazine
CID 1443638
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-benzyl-4-[(R)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625801
3-[(R)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148619
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 1443464
3-[(S)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1145126
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1443491
1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
3-[(R)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 1148267
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine (CID 3208818) is 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine is Fc1ccccc1C(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine?
The InChIKey is VSZPDICGZMCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c25-22-13-7-6-12-21(22)23(24-26-27-28-31(24)20-10-4-5-11-20)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2.
What are the key properties of 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine?
1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine has a molecular weight of 420.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 3208818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).