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

C17H25NO — CID 121479061

IUPAC(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H25NO/c1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyZFXPLKDHRJOYKT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds4

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

(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone (PubChem CID 121479061) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
PubChem CID121479061
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H25NO/c1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyZFXPLKDHRJOYKT-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone (CID 121479061) is (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1.
What is the InChIKey of (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The InChIKey is ZFXPLKDHRJOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 121479061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).