2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol

C13H18FNO — CID 46244139

IUPAC2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
SMILESOCC[C@]1(c2cccc(F)c2)CCCNC1
InChIInChI=1S/C13H18FNO/c14-12-4-1-3-11(9-12)13(6-8-16)5-2-7-15-10-13/h1,3-4,9,15-16H,2,5-8,10H2/t13-/m1/s1
InChIKeyCWOBRNSCJHWRBA-CYBMUJFWSA-N
MW223.29 g/mol
LogP1.83
Rot. Bonds3

About 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol

2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol (PubChem CID 46244139) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
PubChem CID46244139
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
SMILESOCC[C@]1(c2cccc(F)c2)CCCNC1
InChIInChI=1S/C13H18FNO/c14-12-4-1-3-11(9-12)13(6-8-16)5-2-7-15-10-13/h1,3-4,9,15-16H,2,5-8,10H2/t13-/m1/s1
InChIKeyCWOBRNSCJHWRBA-CYBMUJFWSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol (CID 46244139) is 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol is OCC[C@]1(c2cccc(F)c2)CCCNC1.
What is the InChIKey of 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol?
The InChIKey is CWOBRNSCJHWRBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-4-1-3-11(9-12)13(6-8-16)5-2-7-15-10-13/h1,3-4,9,15-16H,2,5-8,10H2/t13-/m1/s1.
What are the key properties of 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol?
2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol has a molecular weight of 223.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 46244139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).