1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol

C14H19F2NO — CID 116790405

IUPAC1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C14H19F2NO/c1-13(18)8-5-9-17(10-13)11-14(15,16)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3
InChIKeyPGMRMOJFALZWBL-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol

1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol (PubChem CID 116790405) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
PubChem CID116790405
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C14H19F2NO/c1-13(18)8-5-9-17(10-13)11-14(15,16)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3
InChIKeyPGMRMOJFALZWBL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-(2,2-difluoro-2-phenylethyl)-4-methylpiperidine-4-carbothioamide
CID 107161472
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
CID 146124310
4-methyl-1-(2,2,2-trifluoroethyl)azepan-4-ol
CID 107407980
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol (CID 116790405) is 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol is CC1(O)CCCN(CC(F)(F)c2ccccc2)C1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol?
The InChIKey is PGMRMOJFALZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-13(18)8-5-9-17(10-13)11-14(15,16)12-6-3-2-4-7-12/h2-4,6-7,18H,5,8-11H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol?
1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol has a molecular weight of 255.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 116790405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).