(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone

C15H21NO — CID 116569568

IUPAC(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCCc1ccc(C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)14(17)15(2)9-4-10-16-11-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZDKBHJLFZHCJNK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds3

About (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone

(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 116569568) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
PubChem CID116569568
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
SMILESCCc1ccc(C(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)14(17)15(2)9-4-10-16-11-15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyZDKBHJLFZHCJNK-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569340
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
(3-ethylphenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570011
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(3-ethoxyphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569556
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
(3-methylpiperidin-3-yl)-(5-methylthiophen-3-yl)methanone
CID 116569577
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
2,7-diazaspiro[3.4]octan-2-yl-(4-ethylphenyl)methanone
CID 138702417

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone (CID 116569568) is (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone is CCc1ccc(C(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is ZDKBHJLFZHCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12-5-7-13(8-6-12)14(17)15(2)9-4-10-16-11-15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone?
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).