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

C15H20F3NO — CID 83982590

IUPAC2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3
InChIKeyMIASNVXHVXETCQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.21
Rot. Bonds3

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

2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83982590) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID83982590
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3
InChIKeyMIASNVXHVXETCQ-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
2-amino-2-(1-benzylpiperidin-3-yl)propanoic acid
CID 82624230
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 95560258
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-benzyl-3-prop-1-en-2-ylpiperidine
CID 174380345
2-(1-benzylpiperidin-3-yl)-2-fluoroacetic acid
CID 81358703

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol (CID 83982590) is 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1CCCN(Cc2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MIASNVXHVXETCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-8-5-9-19(11-13)10-12-6-3-2-4-7-12/h2-4,6-7,13,20H,5,8-11H2,1H3.
What are the key properties of 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol?
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 287.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83982590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).