1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

C14H19F2NO — CID 82217074

IUPAC1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyUHVSREYUXAFHCB-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol

1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (PubChem CID 82217074) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
PubChem CID82217074
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3
InChIKeyUHVSREYUXAFHCB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol (CID 82217074) is 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is CC1CCCN(CC(O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
The InChIKey is UHVSREYUXAFHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10,14,18H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol?
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82217074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).