1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol

C14H19F2NO — CID 46739874

IUPAC1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
SMILESCC(F)(F)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-6-4-11(5-7-12)9-17-8-2-3-13(18)10-17/h4-7,13,18H,2-3,8-10H2,1H3
InChIKeyPKRYNFMXUBLPIA-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.76
Rot. Bonds3

About 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol

1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol (PubChem CID 46739874) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
PubChem CID46739874
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
SMILESCC(F)(F)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-6-4-11(5-7-12)9-17-8-2-3-13(18)10-17/h4-7,13,18H,2-3,8-10H2,1H3
InChIKeyPKRYNFMXUBLPIA-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol (CID 46739874) is 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol is CC(F)(F)c1ccc(CN2CCCC(O)C2)cc1.
What is the InChIKey of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol?
The InChIKey is PKRYNFMXUBLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(15,16)12-6-4-11(5-7-12)9-17-8-2-3-13(18)10-17/h4-7,13,18H,2-3,8-10H2,1H3.
What are the key properties of 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol?
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol has a molecular weight of 255.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 46739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).