(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H18FNO2 — CID 70215265

IUPAC(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(O)CC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10-3-4-11(12(15)9-10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3
InChIKeyXBSGYOWSKCRKTL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds1

About (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 70215265) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID70215265
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(O)CC2)c(F)c1
InChIInChI=1S/C14H18FNO2/c1-10-3-4-11(12(15)9-10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3
InChIKeyXBSGYOWSKCRKTL-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(7,7-dimethyl-1,4-thiazepan-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 107300773
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 120805698
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
4,5-difluoro-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzoic acid
CID 81095842
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
CID 86680849
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 70215265) is (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)(O)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is XBSGYOWSKCRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-3-4-11(12(15)9-10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 70215265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).