(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone

C13H18FNO — CID 167114459

IUPAC(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=CCCC(F)=C1C(=O)N1CCCCC1
InChIInChI=1S/C13H18FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h6H,2-5,7-9H2,1H3
InChIKeyUBYLXAXOXNJNJN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.96
Rot. Bonds1

About (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone

(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone (PubChem CID 167114459) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone
PubChem CID167114459
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone
SMILESCC1=CCCC(F)=C1C(=O)N1CCCCC1
InChIInChI=1S/C13H18FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h6H,2-5,7-9H2,1H3
InChIKeyUBYLXAXOXNJNJN-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone (CID 167114459) is (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone is CC1=CCCC(F)=C1C(=O)N1CCCCC1.
What is the InChIKey of (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone?
The InChIKey is UBYLXAXOXNJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-6-5-7-11(14)12(10)13(16)15-8-3-2-4-9-15/h6H,2-5,7-9H2,1H3.
What are the key properties of (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone?
(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone has a molecular weight of 223.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 167114459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).