1-benzyl-5-(difluoromethyl)piperidin-3-ol

C13H17F2NO — CID 126716011

IUPAC1-benzyl-5-(difluoromethyl)piperidin-3-ol
SMILESOC1CC(C(F)F)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H17F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2
InChIKeyDHSYZVKNZOCUAO-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.13
Rot. Bonds3

About 1-benzyl-5-(difluoromethyl)piperidin-3-ol

1-benzyl-5-(difluoromethyl)piperidin-3-ol (PubChem CID 126716011) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-benzyl-5-(difluoromethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-(difluoromethyl)piperidin-3-ol
PubChem CID126716011
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-benzyl-5-(difluoromethyl)piperidin-3-ol
SMILESOC1CC(C(F)F)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H17F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2
InChIKeyDHSYZVKNZOCUAO-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
CID 126703574
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
2-amino-2-(1-benzylazetidin-3-yl)ethanol
CID 83908918
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(3S,4R)-1-benzyl-4-(difluoromethyl)pyrrolidin-3-amine
CID 146050042
6-amino-1-benzylazepan-3-ol
CID 83486567
(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
CID 11561465
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(difluoromethyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-5-(difluoromethyl)piperidin-3-ol (CID 126716011) is 1-benzyl-5-(difluoromethyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-5-(difluoromethyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-5-(difluoromethyl)piperidin-3-ol is OC1CC(C(F)F)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-(difluoromethyl)piperidin-3-ol?
The InChIKey is DHSYZVKNZOCUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)11-6-12(17)9-16(8-11)7-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2.
What are the key properties of 1-benzyl-5-(difluoromethyl)piperidin-3-ol?
1-benzyl-5-(difluoromethyl)piperidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(difluoromethyl)piperidin-3-ol is sourced from PubChem (CID 126716011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).