1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone

C14H18FNO — CID 156796071

IUPAC1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1C1(C)CCNCC1
InChIInChI=1S/C14H18FNO/c1-10(17)12-9-11(15)3-4-13(12)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyFRCNSRZRKUKLTG-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.67
Rot. Bonds2

About 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone

1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone (PubChem CID 156796071) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone
PubChem CID156796071
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1C1(C)CCNCC1
InChIInChI=1S/C14H18FNO/c1-10(17)12-9-11(15)3-4-13(12)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3
InChIKeyFRCNSRZRKUKLTG-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567687
4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
CID 131580444
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147
4-(2,4-difluorophenyl)piperidin-4-ol
CID 62801689
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
CID 57459631
1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride
CID 155832997
7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84720142
2-acetyl-5-fluorobenzoic acid
CID 117279010
1-(5-fluoro-2-phosphanylphenyl)ethanone
CID 145488080
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone (CID 156796071) is 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone is CC(=O)c1cc(F)ccc1C1(C)CCNCC1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone?
The InChIKey is FRCNSRZRKUKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10(17)12-9-11(15)3-4-13(12)14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone?
1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpiperidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 156796071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).