1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone

C16H30N2O2 — CID 124691199

IUPAC1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
SMILESCC1CCCC[C@H]1OCC(=O)N1CCC[C@@H]([C@H](C)N)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-3-4-8-15(12)20-11-16(19)18-9-5-7-14(10-18)13(2)17/h12-15H,3-11,17H2,1-2H3/t12?,13-,14+,15+/m0/s1
InChIKeyAJAPLYZFSCFNKK-FGDMXMHKSA-N
MW282.43 g/mol
LogP2.17
Rot. Bonds4

About 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone

1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone (PubChem CID 124691199) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
PubChem CID124691199
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
SMILESCC1CCCC[C@H]1OCC(=O)N1CCC[C@@H]([C@H](C)N)C1
InChIInChI=1S/C16H30N2O2/c1-12-6-3-4-8-15(12)20-11-16(19)18-9-5-7-14(10-18)13(2)17/h12-15H,3-11,17H2,1-2H3/t12?,13-,14+,15+/m0/s1
InChIKeyAJAPLYZFSCFNKK-FGDMXMHKSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone with MolForge

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Related Compounds

2-[(1S,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858715
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858714
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103807110
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone?
The IUPAC name of 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone (CID 124691199) is 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone.
What is the SMILES notation for 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone?
The canonical SMILES for 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone is CC1CCCC[C@H]1OCC(=O)N1CCC[C@@H]([C@H](C)N)C1.
What is the InChIKey of 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone?
The InChIKey is AJAPLYZFSCFNKK-FGDMXMHKSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-6-3-4-8-15(12)20-11-16(19)18-9-5-7-14(10-18)13(2)17/h12-15H,3-11,17H2,1-2H3/t12?,13-,14+,15+/m0/s1.
What are the key properties of 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone?
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone has a molecular weight of 282.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone is sourced from PubChem (CID 124691199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).