1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride

C17H33ClN2O2 — CID 119595319

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-3-16(21-15-9-5-4-6-10-15)17(20)19-11-7-8-14(12-19)13(2)18;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyPHKDFURFRDLEEL-UHFFFAOYSA-N
MW332.92 g/mol
LogP3.12
Rot. Bonds5

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride (PubChem CID 119595319) has the molecular formula C17H33ClN2O2 and a molecular weight of 332.92 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
PubChem CID119595319
Molecular FormulaC17H33ClN2O2
Molecular Weight332.92 g/mol
Exact Mass332.22
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-3-16(21-15-9-5-4-6-10-15)17(20)19-11-7-8-14(12-19)13(2)18;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyPHKDFURFRDLEEL-UHFFFAOYSA-N
XLogP3.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride (CID 119595319) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride is CCC(OC1CCCCC1)C(=O)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride?
The InChIKey is PHKDFURFRDLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.ClH/c1-3-16(21-15-9-5-4-6-10-15)17(20)19-11-7-8-14(12-19)13(2)18;/h13-16H,3-12,18H2,1-2H3;1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride is sourced from PubChem (CID 119595319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).