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

C23H26F2N6 — CID 1443443

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H26F2N6/c24-18-7-5-17(6-8-18)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)20-11-9-19(25)10-12-20/h5-12,21-22H,1-4,13-16H2/t22-/m0/s1
InChIKeyFEUJZSZYVHDEJQ-QFIPXVFZSA-N
MW424.50 g/mol
LogP3.98
Rot. Bonds5

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

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 1443443) has the molecular formula C23H26F2N6 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID1443443
Molecular FormulaC23H26F2N6
Molecular Weight424.50 g/mol
Exact Mass424.22
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H26F2N6/c24-18-7-5-17(6-8-18)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)20-11-9-19(25)10-12-20/h5-12,21-22H,1-4,13-16H2/t22-/m0/s1
InChIKeyFEUJZSZYVHDEJQ-QFIPXVFZSA-N
XLogP3.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668116
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
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
3-[(1-cyclopentyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 3175495
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1147851
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 1443443) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is FEUJZSZYVHDEJQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26F2N6/c24-18-7-5-17(6-8-18)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)20-11-9-19(25)10-12-20/h5-12,21-22H,1-4,13-16H2/t22-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 424.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1443443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).