1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C23H23FN6S — CID 1447798

IUPAC1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C23H23FN6S/c24-20-10-4-5-11-21(20)28-12-14-29(15-13-28)22(18-7-2-1-3-8-18)23-25-26-27-30(23)17-19-9-6-16-31-19/h1-11,16,22H,12-15,17H2/t22-/m0/s1
InChIKeyQVUXIVNJJNAWRJ-QFIPXVFZSA-N
MW434.54 g/mol
LogP3.83
Rot. Bonds6

About 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 1447798) has the molecular formula C23H23FN6S and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID1447798
Molecular FormulaC23H23FN6S
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C23H23FN6S/c24-20-10-4-5-11-21(20)28-12-14-29(15-13-28)22(18-7-2-1-3-8-18)23-25-26-27-30(23)17-19-9-6-16-31-19/h1-11,16,22H,12-15,17H2/t22-/m0/s1
InChIKeyQVUXIVNJJNAWRJ-QFIPXVFZSA-N
XLogP3.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-fluorophenyl)-4-[(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210282
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149
1-(2-methoxyphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210274
1-(2-fluorophenyl)-4-[(1S)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 7389586
2-[4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 127042724
1-[(S)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448401
1-(4-methoxyphenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447806
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-benzyl-4-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1448470
1-benzyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668525
1-(4-fluorophenyl)-4-[(R)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1448409

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 1447798) is 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is Fc1ccccc1N1CCN([C@@H](c2ccccc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is QVUXIVNJJNAWRJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN6S/c24-20-10-4-5-11-21(20)28-12-14-29(15-13-28)22(18-7-2-1-3-8-18)23-25-26-27-30(23)17-19-9-6-16-31-19/h1-11,16,22H,12-15,17H2/t22-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 434.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1447798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).