(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone

C11H17Cl2NO — CID 4277660

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(C)CC2(Cl)Cl)C1
InChIInChI=1S/C11H17Cl2NO/c1-8-4-3-5-14(6-8)9(15)10(2)7-11(10,12)13/h8H,3-7H2,1-2H3
InChIKeyUMALWLNICDTYPL-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.83
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 4277660) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID4277660
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2(C)CC2(Cl)Cl)C1
InChIInChI=1S/C11H17Cl2NO/c1-8-4-3-5-14(6-8)9(15)10(2)7-11(10,12)13/h8H,3-7H2,1-2H3
InChIKeyUMALWLNICDTYPL-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2,2-dichloro-1-methylcyclopropyl)-(3-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

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone (CID 4277660) is (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2(C)CC2(Cl)Cl)C1.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UMALWLNICDTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NO/c1-8-4-3-5-14(6-8)9(15)10(2)7-11(10,12)13/h8H,3-7H2,1-2H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 250.17 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).