(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol

C14H20FNO — CID 114059063

IUPAC(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2c(F)cccc2[C@@H](C)O)C1
InChIInChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14-12(11(2)17)6-3-7-13(14)15/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyDHMLJSPWPWFFNI-RRKGBCIJSA-N
MW237.32 g/mol
LogP3.12
Rot. Bonds2

About (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol (PubChem CID 114059063) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
PubChem CID114059063
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2c(F)cccc2[C@@H](C)O)C1
InChIInChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14-12(11(2)17)6-3-7-13(14)15/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyDHMLJSPWPWFFNI-RRKGBCIJSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol (CID 114059063) is (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol is CC1CCCN(c2c(F)cccc2[C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is DHMLJSPWPWFFNI-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14-12(11(2)17)6-3-7-13(14)15/h3,6-7,10-11,17H,4-5,8-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 114059063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).