3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

C15H20F3NO — CID 3811822

IUPAC3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)14(20)11-19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2
InChIKeyOVWREYSRRDICFP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 3811822) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID3811822
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c16-15(17,18)14(20)11-19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2
InChIKeyOVWREYSRRDICFP-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Phenylethyl)-4-piperidinol
CID 77055
Diphemethoxidine
CID 65607
1-(2-Phenylpropyl)piperidin-4-ol
CID 2846178
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421
2-[4-(3-Phenylbutyl)-1-piperazinyl]ethanol
CID 2845686
1-(4-Benzylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol;hydrochloride
CID 16807157
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
US11214540, Example 13
CID 142475191
2-[(3-Phenylpropyl)(propyl)amino]ethanol
CID 756834
2-(4-Benzyl-piperidin-1-yl)-cyclohexanol
CID 15925766
2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexanol
CID 15925767

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 3811822) is 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is OC(CN1CCC(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is OVWREYSRRDICFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)14(20)11-19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 287.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 3811822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).