1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride

C17H33ClN2O — CID 119379995

IUPAC1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(CC1CCCCC1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyHJDFKJUUHHVFNW-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride (PubChem CID 119379995) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
PubChem CID119379995
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(CC1CCCCC1)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyHJDFKJUUHHVFNW-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylmethyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylbutan-1-one
CID 119637690
1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride
CID 119378254
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119377592
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536813
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride (CID 119379995) is 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride is CC(C)C(CC1CCCCC1)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride?
The InChIKey is HJDFKJUUHHVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-13(2)16(11-14-7-4-3-5-8-14)17(20)19-10-6-9-15(18)12-19;/h13-16H,3-12,18H2,1-2H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 119379995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).