2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one

C17H31NO — CID 64737381

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCC1(C)CCN(CC2C(=O)CC(C)CC2C)CC1
InChIInChI=1S/C17H31NO/c1-5-17(4)6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,5-12H2,1-4H3
InChIKeyWKBMYTRCUIJHJK-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds3

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64737381) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64737381
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one
SMILESCCC1(C)CCN(CC2C(=O)CC(C)CC2C)CC1
InChIInChI=1S/C17H31NO/c1-5-17(4)6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,5-12H2,1-4H3
InChIKeyWKBMYTRCUIJHJK-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one (CID 64737381) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one is CCC1(C)CCN(CC2C(=O)CC(C)CC2C)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is WKBMYTRCUIJHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-17(4)6-8-18(9-7-17)12-15-14(3)10-13(2)11-16(15)19/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).