(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone

C15H21NO — CID 3113347

IUPAC(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)15(17)16-9-12(2)8-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyXKNGWONYTAGXCE-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.11
Rot. Bonds1

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

(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone (PubChem CID 3113347) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
PubChem CID3113347
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)15(17)16-9-12(2)8-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3
InChIKeyXKNGWONYTAGXCE-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;formic acid;(3-methylazetidin-1-yl)-(4-methylphenyl)methanone
CID 177155026
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
[4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl] acetate
CID 690413
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
(3,5-dimethylpiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 2857981
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone (CID 3113347) is (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
The InChIKey is XKNGWONYTAGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-4-6-14(7-5-11)15(17)16-9-12(2)8-13(3)10-16/h4-7,12-13H,8-10H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone?
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 3113347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).