1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C19H24F3N5O — CID 3229259

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(C(F)(F)F)cc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H24F3N5O/c20-19(21,22)14-7-5-13(6-8-14)17(26-11-9-16(28)10-12-26)18-23-24-25-27(18)15-3-1-2-4-15/h5-8,15-17,28H,1-4,9-12H2
InChIKeyHWUBGIMYDHHRNI-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.35
Rot. Bonds4

About 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 3229259) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID3229259
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(C(c2ccc(C(F)(F)F)cc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C19H24F3N5O/c20-19(21,22)14-7-5-13(6-8-14)17(26-11-9-16(28)10-12-26)18-23-24-25-27(18)15-3-1-2-4-15/h5-8,15-17,28H,1-4,9-12H2
InChIKeyHWUBGIMYDHHRNI-UHFFFAOYSA-N
XLogP3.35
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
CID 649276
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 3229259) is 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1CCN(C(c2ccc(C(F)(F)F)cc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is HWUBGIMYDHHRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c20-19(21,22)14-7-5-13(6-8-14)17(26-11-9-16(28)10-12-26)18-23-24-25-27(18)15-3-1-2-4-15/h5-8,15-17,28H,1-4,9-12H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 395.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 3229259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).