(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H17Cl2NO — CID 2842878

IUPAC(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl2NO/c1-9-5-10(2)8-17(7-9)14(18)12-4-3-11(15)6-13(12)16/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyAGNPAMOKUJCURB-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.11
Rot. Bonds1

About (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 2842878) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID2842878
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H17Cl2NO/c1-9-5-10(2)8-17(7-9)14(18)12-4-3-11(15)6-13(12)16/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyAGNPAMOKUJCURB-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 2842878) is (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is AGNPAMOKUJCURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9-5-10(2)8-17(7-9)14(18)12-4-3-11(15)6-13(12)16/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 286.20 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2842878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).