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

C14H18FNO — CID 12508857

IUPAC(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-2-16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyFZFITYAPFAVCSO-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.74
Rot. Bonds3

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

(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 12508857) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone
PubChem CID12508857
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO/c1-2-16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyFZFITYAPFAVCSO-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone (CID 12508857) is (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone is CCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is FZFITYAPFAVCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-16-9-7-12(8-10-16)14(17)11-3-5-13(15)6-4-11/h3-6,12H,2,7-10H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone?
(1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 12508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).