(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone

C14H17F2NO — CID 143189846

IUPAC(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2=CCC(F)=C(F)C=C2)CC1
InChIInChI=1S/C14H17F2NO/c1-10-6-8-17(9-7-10)14(18)11-2-4-12(15)13(16)5-3-11/h2-4,10H,5-9H2,1H3
InChIKeyPDCDPIQUHPFELO-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.28
Rot. Bonds1

About (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone

(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 143189846) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID143189846
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2=CCC(F)=C(F)C=C2)CC1
InChIInChI=1S/C14H17F2NO/c1-10-6-8-17(9-7-10)14(18)11-2-4-12(15)13(16)5-3-11/h2-4,10H,5-9H2,1H3
InChIKeyPDCDPIQUHPFELO-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-[1-(4-fluorocyclohepta-1,3,6-triene-1-carbonyl)piperidin-4-yl]ethanone
CID 172595555
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 176513313

Frequently Asked Questions

What is the IUPAC name of (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone (CID 143189846) is (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2=CCC(F)=C(F)C=C2)CC1.
What is the InChIKey of (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PDCDPIQUHPFELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10-6-8-17(9-7-10)14(18)11-2-4-12(15)13(16)5-3-11/h2-4,10H,5-9H2,1H3.
What are the key properties of (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone?
(4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 253.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluorocyclohepta-1,4,6-trien-1-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 143189846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).