2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C17H32N2O2 — CID 60696879

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14-7-6-8-15(2)19(14)17(21)13-18(11-12-20)16-9-4-3-5-10-16/h14-16,20H,3-13H2,1-2H3
InChIKeyNZHMKONOZMAZPU-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.40
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 60696879) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID60696879
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-14-7-6-8-15(2)19(14)17(21)13-18(11-12-20)16-9-4-3-5-10-16/h14-16,20H,3-13H2,1-2H3
InChIKeyNZHMKONOZMAZPU-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 60696879) is 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NZHMKONOZMAZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14-7-6-8-15(2)19(14)17(21)13-18(11-12-20)16-9-4-3-5-10-16/h14-16,20H,3-13H2,1-2H3.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 296.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60696879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).