2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone

C14H18FNO — CID 2915380

IUPAC2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyPQIXNGWJDMFPEA-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds2

About 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 2915380) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID2915380
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3
InChIKeyPQIXNGWJDMFPEA-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 2915380) is 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is PQIXNGWJDMFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2915380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).