1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone

C14H18FNO — CID 21133880

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC1)CC2=CC=C(C=C2)F
InChIInChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyOOMYIKQRRZLESA-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.50
Rot. Bonds2

About 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone

1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 21133880) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
PubChem CID21133880
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC1)CC2=CC=C(C=C2)F
InChIInChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3
InChIKeyOOMYIKQRRZLESA-UHFFFAOYSA-N
XLogP2.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity253

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone (CID 21133880) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC1)CC2=CC=C(C=C2)F.
What is the InChIKey of 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OOMYIKQRRZLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone?
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 21133880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).