1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol

C15H22FNO — CID 116685626

IUPAC1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CC(C)CCN2)cc1F
InChIInChI=1S/C15H22FNO/c1-10-5-6-17-13(7-10)9-15(18)12-4-3-11(2)14(16)8-12/h3-4,8,10,13,15,17-18H,5-7,9H2,1-2H3
InChIKeyIHBXKCKVNGLJOG-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol

1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol (PubChem CID 116685626) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
PubChem CID116685626
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCc1ccc(C(O)CC2CC(C)CCN2)cc1F
InChIInChI=1S/C15H22FNO/c1-10-5-6-17-13(7-10)9-15(18)12-4-3-11(2)14(16)8-12/h3-4,8,10,13,15,17-18H,5-7,9H2,1-2H3
InChIKeyIHBXKCKVNGLJOG-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
CID 115502554
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol (CID 116685626) is 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol is Cc1ccc(C(O)CC2CC(C)CCN2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The InChIKey is IHBXKCKVNGLJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-5-6-17-13(7-10)9-15(18)12-4-3-11(2)14(16)8-12/h3-4,8,10,13,15,17-18H,5-7,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).