(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone

C13H16FNO — CID 3113489

IUPAC(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-10-3-2-8-15(9-10)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyJOEUOTUBSKBWPN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.70
Rot. Bonds1

About (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone

(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 3113489) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID3113489
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-10-3-2-8-15(9-10)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyJOEUOTUBSKBWPN-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (CID 3113489) is (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JOEUOTUBSKBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-3-2-8-15(9-10)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3113489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).