(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone

C14H18FNO — CID 116568013

IUPAC(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
SMILESCCC1(C(=O)c2ccccc2F)CCNCC1
InChIInChI=1S/C14H18FNO/c1-2-14(7-9-16-10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3
InChIKeyAYHARLSQMBIKNI-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.79
Rot. Bonds3

About (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone

(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone (PubChem CID 116568013) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
PubChem CID116568013
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone
SMILESCCC1(C(=O)c2ccccc2F)CCNCC1
InChIInChI=1S/C14H18FNO/c1-2-14(7-9-16-10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3
InChIKeyAYHARLSQMBIKNI-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone (CID 116568013) is (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone is CCC1(C(=O)c2ccccc2F)CCNCC1.
What is the InChIKey of (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone?
The InChIKey is AYHARLSQMBIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-14(7-9-16-10-8-14)13(17)11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone?
(4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-4-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 116568013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).