(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol

C14H20FNO2 — CID 78939949

IUPAC(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(18)11-5-6-14(13(15)8-11)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3/t10-,12?/m0/s1
InChIKeyNPESWSRGNARVMJ-NUHJPDEHSA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds3

About (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol

(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 78939949) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID78939949
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCCC2CO)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(18)11-5-6-14(13(15)8-11)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3/t10-,12?/m0/s1
InChIKeyNPESWSRGNARVMJ-NUHJPDEHSA-N
XLogP2.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
(1R)-1-[3-bromo-4-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 104891570
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
(1S)-1-[3-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79921453

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol (CID 78939949) is (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(N2CCCCC2CO)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is NPESWSRGNARVMJ-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(18)11-5-6-14(13(15)8-11)16-7-3-2-4-12(16)9-17/h5-6,8,10,12,17-18H,2-4,7,9H2,1H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 78939949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).