1-benzyl-4-(difluoromethyl)piperidin-4-ol

C13H17F2NO — CID 80604998

IUPAC1-benzyl-4-(difluoromethyl)piperidin-4-ol
SMILESOC1(C(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H17F2NO/c14-12(15)13(17)6-8-16(9-7-13)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyHUCNZHOEAYYWPX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.28
Rot. Bonds3

About 1-benzyl-4-(difluoromethyl)piperidin-4-ol

1-benzyl-4-(difluoromethyl)piperidin-4-ol (PubChem CID 80604998) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-benzyl-4-(difluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-(difluoromethyl)piperidin-4-ol
PubChem CID80604998
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-benzyl-4-(difluoromethyl)piperidin-4-ol
SMILESOC1(C(F)F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H17F2NO/c14-12(15)13(17)6-8-16(9-7-13)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyHUCNZHOEAYYWPX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
1-Ethyl-4-(2-phenylethynyl)piperidin-4-ol
CID 2729868
1-Benzylpiperidin-4-ol
CID 78461
1-Benzyl-4-hydroxypiperidine-4-carbonitrile
CID 80189
(1-Benzylpiperidin-4-yl)methanol
CID 736802
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
(1-Benzylpiperidin-3-yl)methanol
CID 10398044
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
4-[[[4-Fluoro-3-(trifluoromethyl)phenyl]methylamino]methyl]-1-methylpiperidin-4-ol
CID 84590178
1-Benzyl-2,5-dimethylpiperidin-4-ol
CID 3104852
4-Methyl-1-(3-methyl-3-(4-(trifluoromethyl)phenyl)butyl)piperidin-4-ol
CID 142475220

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(difluoromethyl)piperidin-4-ol?
The IUPAC name of 1-benzyl-4-(difluoromethyl)piperidin-4-ol (CID 80604998) is 1-benzyl-4-(difluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-(difluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-(difluoromethyl)piperidin-4-ol is OC1(C(F)F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(difluoromethyl)piperidin-4-ol?
The InChIKey is HUCNZHOEAYYWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-12(15)13(17)6-8-16(9-7-13)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2.
What are the key properties of 1-benzyl-4-(difluoromethyl)piperidin-4-ol?
1-benzyl-4-(difluoromethyl)piperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(difluoromethyl)piperidin-4-ol is sourced from PubChem (CID 80604998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).