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

C13H16FNO — CID 826664

IUPAC(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyISGZTZNRWOQFNW-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.35
Rot. Bonds2

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

(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone (PubChem CID 826664) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone
PubChem CID826664
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyISGZTZNRWOQFNW-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone (CID 826664) is (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ISGZTZNRWOQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone?
(4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 826664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).