(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone

C14H20FNO — CID 167114427

IUPAC(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCCC(C)C2)C(F)=CCC1
InChIInChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14(17)13-11(2)6-3-7-12(13)15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyGDLBCWFWATULNT-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.21
Rot. Bonds1

About (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone

(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 167114427) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID167114427
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCCC(C)C2)C(F)=CCC1
InChIInChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14(17)13-11(2)6-3-7-12(13)15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyGDLBCWFWATULNT-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone (CID 167114427) is (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone is CC1=C(C(=O)N2CCCC(C)C2)C(F)=CCC1.
What is the InChIKey of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GDLBCWFWATULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-4-8-16(9-10)14(17)13-11(2)6-3-7-12(13)15/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone?
(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 237.32 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167114427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).