1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C23H26F3N7 — CID 1437129

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H](c3ccccn3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C23H26F3N7/c24-23(25,26)17-6-5-9-19(16-17)31-12-14-32(15-13-31)21(20-10-3-4-11-27-20)22-28-29-30-33(22)18-7-1-2-8-18/h3-6,9-11,16,18,21H,1-2,7-8,12-15H2/t21-/m0/s1
InChIKeyQOEHFAJLKDNJRW-NRFANRHFSA-N
MW457.50 g/mol
LogP4.11
Rot. Bonds5

About 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1437129) has the molecular formula C23H26F3N7 and a molecular weight of 457.50 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1437129
Molecular FormulaC23H26F3N7
Molecular Weight457.50 g/mol
Exact Mass457.22
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN([C@@H](c3ccccn3)c3nnnn3C3CCCC3)CC2)c1
InChIInChI=1S/C23H26F3N7/c24-23(25,26)17-6-5-9-19(16-17)31-12-14-32(15-13-31)21(20-10-3-4-11-27-20)22-28-29-30-33(22)18-7-1-2-8-18/h3-6,9-11,16,18,21H,1-2,7-8,12-15H2/t21-/m0/s1
InChIKeyQOEHFAJLKDNJRW-NRFANRHFSA-N
XLogP4.11
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193437
1-[(1-tert-butyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3229215
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
3-[(1-cyclopentyltetrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182438
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-(3-chlorophenyl)-4-[(S)-(1-cyclopentyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 1431474
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1431296

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1437129) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN([C@@H](c3ccccn3)c3nnnn3C3CCCC3)CC2)c1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QOEHFAJLKDNJRW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26F3N7/c24-23(25,26)17-6-5-9-19(16-17)31-12-14-32(15-13-31)21(20-10-3-4-11-27-20)22-28-29-30-33(22)18-7-1-2-8-18/h3-6,9-11,16,18,21H,1-2,7-8,12-15H2/t21-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 457.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1437129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).