1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol

C14H19F2NO — CID 131168959

IUPAC1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2ccccc2)CC(F)(F)C1O
InChIInChI=1S/C14H19F2NO/c1-13(2)9-17(10-14(15,16)12(13)18)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3
InChIKeyUECPKQJMXGTFLM-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.52
Rot. Bonds2

About 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol

1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol (PubChem CID 131168959) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
PubChem CID131168959
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2ccccc2)CC(F)(F)C1O
InChIInChI=1S/C14H19F2NO/c1-13(2)9-17(10-14(15,16)12(13)18)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3
InChIKeyUECPKQJMXGTFLM-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
1-benzyl-3-fluoro-3-propan-2-ylazetidine
CID 163258397
1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
1-benzyl-3,3-difluoro-4-(4-methylphenyl)pyrrolidine
CID 122380731
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
2-(1-benzyl-4,4-dimethylpyrrolidin-3-yl)ethanamine
CID 70113914
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol?
The IUPAC name of 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol (CID 131168959) is 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol?
The canonical SMILES for 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol is CC1(C)CN(Cc2ccccc2)CC(F)(F)C1O.
What is the InChIKey of 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol?
The InChIKey is UECPKQJMXGTFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(2)9-17(10-14(15,16)12(13)18)8-11-6-4-3-5-7-11/h3-7,12,18H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol?
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol has a molecular weight of 255.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 131168959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).