1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride

C16H31ClN2O2 — CID 119379471

IUPAC1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18;/h12-15H,3-11,17H2,1-2H3;1H
InChIKeyFZZQLYSJRYWQEA-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride (PubChem CID 119379471) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
PubChem CID119379471
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCC(C)C1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18;/h12-15H,3-11,17H2,1-2H3;1H
InChIKeyFZZQLYSJRYWQEA-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119396876
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 120819001
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3-methylcyclohexyl)oxybutan-1-one
CID 119637179
1-[(2S)-2-[(1R,3S)-3-methylcyclohexyl]oxybutanoyl]piperidine-4-carboxylic acid
CID 125149705
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
3-[(3R)-1-[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]piperidin-3-yl]propanoic acid
CID 125149689
(2S)-N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 129427199
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride (CID 119379471) is 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride is CCC(OC1CCCC(C)C1)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
The InChIKey is FZZQLYSJRYWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-15(20-14-8-4-6-12(2)10-14)16(19)18-9-5-7-13(17)11-18;/h12-15H,3-11,17H2,1-2H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride is sourced from PubChem (CID 119379471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).