2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one

C15H27NO — CID 114425855

IUPAC2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one
SMILESCCC1CCNC(C2C(=O)CC(C)CC2C)C1
InChIInChI=1S/C15H27NO/c1-4-12-5-6-16-13(9-12)15-11(3)7-10(2)8-14(15)17/h10-13,15-16H,4-9H2,1-3H3
InChIKeyKJJANRAFIJPJFO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one

2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one (PubChem CID 114425855) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one
PubChem CID114425855
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one
SMILESCCC1CCNC(C2C(=O)CC(C)CC2C)C1
InChIInChI=1S/C15H27NO/c1-4-12-5-6-16-13(9-12)15-11(3)7-10(2)8-14(15)17/h10-13,15-16H,4-9H2,1-3H3
InChIKeyKJJANRAFIJPJFO-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylpiperidin-2-yl)-2,2,5,5-tetramethyloxolan-3-one
CID 114425872
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
(2S,3S,5S)-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,5-dimethylcyclohexan-1-one
CID 124746923
5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione
CID 130595743
2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
CID 130495164
N-(3,5-dimethylcyclohexyl)-4-ethylpiperidine-2-carboxamide
CID 114429133
4-ethylpiperidine-2-carbonitrile
CID 56972748
trans-(2R,5S)-2-ethyl-5-methylcyclohexan-1-one
CID 99647050
4-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-2-carboxamide
CID 114429063
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
CID 114425874

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one (CID 114425855) is 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one is CCC1CCNC(C2C(=O)CC(C)CC2C)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one?
The InChIKey is KJJANRAFIJPJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-12-5-6-16-13(9-12)15-11(3)7-10(2)8-14(15)17/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one?
2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 114425855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).