1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine

C22H27FN6O — CID 7388644

IUPAC1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCOc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN6O/c1-16(2)29-22(24-25-26-29)21(17-8-10-18(30-3)11-9-17)28-14-12-27(13-15-28)20-7-5-4-6-19(20)23/h4-11,16,21H,12-15H2,1-3H3/t21-/m0/s1
InChIKeyVWENXYGSARNLCZ-NRFANRHFSA-N
MW410.50 g/mol
LogP3.31
Rot. Bonds6

About 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine

1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine (PubChem CID 7388644) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
PubChem CID7388644
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCOc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H27FN6O/c1-16(2)29-22(24-25-26-29)21(17-8-10-18(30-3)11-9-17)28-14-12-27(13-15-28)20-7-5-4-6-19(20)23/h4-11,16,21H,12-15H2,1-3H3/t21-/m0/s1
InChIKeyVWENXYGSARNLCZ-NRFANRHFSA-N
XLogP3.31
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1443953
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 6603053
1-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668322
2-[4-[(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 3209440
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-[(1-tert-butyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208909
1-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208981
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
CID 7388615
1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 1444122
1-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 3208797
1-(2,3-dimethylphenyl)-4-[(R)-(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 7388589
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-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine (CID 7388644) is 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine is COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The InChIKey is VWENXYGSARNLCZ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-16(2)29-22(24-25-26-29)21(17-8-10-18(30-3)11-9-17)28-14-12-27(13-15-28)20-7-5-4-6-19(20)23/h4-11,16,21H,12-15H2,1-3H3/t21-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
1-(2-fluorophenyl)-4-[(S)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine has a molecular weight of 410.50 g/mol, XLogP of 3.31, 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)-(4-methoxyphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 7388644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).