1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone

C15H27NO — CID 64738564

IUPAC1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1C1CCC(C)C(C)C1
InChIInChI=1S/C15H27NO/c1-11-7-8-14(10-12(11)2)16-9-5-4-6-15(16)13(3)17/h11-12,14-15H,4-10H2,1-3H3
InChIKeyYFHZPOFIYRURBC-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.25
Rot. Bonds2

About 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone

1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone (PubChem CID 64738564) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone
PubChem CID64738564
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1C1CCC(C)C(C)C1
InChIInChI=1S/C15H27NO/c1-11-7-8-14(10-12(11)2)16-9-5-4-6-15(16)13(3)17/h11-12,14-15H,4-10H2,1-3H3
InChIKeyYFHZPOFIYRURBC-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone (CID 64738564) is 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1C1CCC(C)C(C)C1.
What is the InChIKey of 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone?
The InChIKey is YFHZPOFIYRURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-7-8-14(10-12(11)2)16-9-5-4-6-15(16)13(3)17/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone?
1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylcyclohexyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 64738564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).