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

C15H20F3NO — CID 83982308

IUPAC2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCCCN1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-9-5-6-10-19(13)11-12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3
InChIKeyVETGEONURLZKSO-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.35
Rot. Bonds3

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

2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83982308) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID83982308
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CCCCN1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-9-5-6-10-19(13)11-12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3
InChIKeyVETGEONURLZKSO-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
1-benzyl-2-fluoropiperidine
CID 54431864
2-[(2S)-1-benzylpyrrolidin-2-yl]-3-ethoxybut-3-en-2-ol
CID 15720197
2-[1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 110009559
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
CID 53235722
(2R)-1-benzylpiperidin-2-amine
CID 97050484
[(2R)-1-benzylazetidin-2-yl]-diphenylmethanol
CID 12035662
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
lithium [(2S)-1-benzylpyrrolidin-2-yl]-diphenylmethanolate
CID 102371983
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(2S)-1-benzyl-2-propylpiperidine
CID 71407726

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol (CID 83982308) is 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1CCCCN1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is VETGEONURLZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(20,15(16,17)18)13-9-5-6-10-19(13)11-12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3.
What are the key properties of 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol?
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 287.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83982308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).