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

C25H25FN6 — CID 1446149

IUPAC1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C25H25FN6/c26-22-13-7-8-14-23(22)30-15-17-31(18-16-30)24(21-11-5-2-6-12-21)25-27-28-29-32(25)19-20-9-3-1-4-10-20/h1-14,24H,15-19H2/t24-/m0/s1
InChIKeyFJIDLPUZPWPXEF-DEOSSOPVSA-N
MW428.52 g/mol
LogP3.77
Rot. Bonds6

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

1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine (PubChem CID 1446149) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
PubChem CID1446149
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C25H25FN6/c26-22-13-7-8-14-23(22)30-15-17-31(18-16-30)24(21-11-5-2-6-12-21)25-27-28-29-32(25)19-20-9-3-1-4-10-20/h1-14,24H,15-19H2/t24-/m0/s1
InChIKeyFJIDLPUZPWPXEF-DEOSSOPVSA-N
XLogP3.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447798
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1446104
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-(2-fluorophenyl)-4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210282
3-[(R)-(1-benzyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1148667
3-[(R)-(1-benzyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1144913
3-[(1-benzyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3176475
7-[(1-benzyltetrazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183690
1-[(S)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446365
1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446363

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine (CID 1446149) is 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is FJIDLPUZPWPXEF-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN6/c26-22-13-7-8-14-23(22)30-15-17-31(18-16-30)24(21-11-5-2-6-12-21)25-27-28-29-32(25)19-20-9-3-1-4-10-20/h1-14,24H,15-19H2/t24-/m0/s1.
What are the key properties of 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine?
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 428.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 1446149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).