1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine

C23H29FN6 — CID 7389173

IUPAC1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
SMILESCCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN6/c1-2-3-12-22(23-25-26-27-30(23)18-19-9-5-4-6-10-19)29-16-14-28(15-17-29)21-13-8-7-11-20(21)24/h4-11,13,22H,2-3,12,14-18H2,1H3/t22-/m0/s1
InChIKeyZHSQMNZSWJZLHG-QFIPXVFZSA-N
MW408.52 g/mol
LogP3.91
Rot. Bonds8

About 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine

1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine (PubChem CID 7389173) has the molecular formula C23H29FN6 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
PubChem CID7389173
Molecular FormulaC23H29FN6
Molecular Weight408.52 g/mol
Exact Mass408.24
IUPAC Name1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
SMILESCCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H29FN6/c1-2-3-12-22(23-25-26-27-30(23)18-19-9-5-4-6-10-19)29-16-14-28(15-17-29)21-13-8-7-11-20(21)24/h4-11,13,22H,2-3,12,14-18H2,1H3/t22-/m0/s1
InChIKeyZHSQMNZSWJZLHG-QFIPXVFZSA-N
XLogP3.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1446104
1-(2-fluorophenyl)-4-[(1S)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 7389586
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 1448978
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149
1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
[4-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine (CID 7389173) is 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine is CCCC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is ZHSQMNZSWJZLHG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29FN6/c1-2-3-12-22(23-25-26-27-30(23)18-19-9-5-4-6-10-19)29-16-14-28(15-17-29)21-13-8-7-11-20(21)24/h4-11,13,22H,2-3,12,14-18H2,1H3/t22-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine?
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 408.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 7389173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).