(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone

C15H21NO — CID 789001

IUPAC(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-6-8-16(9-7-11)15(17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCTLLIIRUGKHWKZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.18
Rot. Bonds1

About (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone

(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 789001) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID789001
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C15H21NO/c1-11-6-8-16(9-7-11)15(17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCTLLIIRUGKHWKZ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 789001) is (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CTLLIIRUGKHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-8-16(9-7-11)15(17)14-5-4-12(2)13(3)10-14/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone?
(3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 789001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).