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

C14H18FNO — CID 23552313

IUPAC(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
SMILESCCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO/c1-2-11-4-3-9-16(10-11)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyWJMVDCIRYLAFKJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.09
Rot. Bonds2

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

(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone (PubChem CID 23552313) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
PubChem CID23552313
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
SMILESCCC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO/c1-2-11-4-3-9-16(10-11)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyWJMVDCIRYLAFKJ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
2,3-dihydro-1H-isoindol-5-yl-(3-ethylpiperidin-1-yl)methanone
CID 103998035
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
6-[(3S)-3-ethylpiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 34467098
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone (CID 23552313) is (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone is CCC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is WJMVDCIRYLAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-11-4-3-9-16(10-11)14(17)12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone?
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 23552313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).