1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol

C17H28N2O — CID 102956063

IUPAC1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
SMILESCCC(N)C(c1ccccc1C)N1CCC(C)C(O)C1
InChIInChI=1S/C17H28N2O/c1-4-15(18)17(14-8-6-5-7-12(14)2)19-10-9-13(3)16(20)11-19/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyOKWUOCQNGXAWJL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol (PubChem CID 102956063) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
PubChem CID102956063
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
SMILESCCC(N)C(c1ccccc1C)N1CCC(C)C(O)C1
InChIInChI=1S/C17H28N2O/c1-4-15(18)17(14-8-6-5-7-12(14)2)19-10-9-13(3)16(20)11-19/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3
InChIKeyOKWUOCQNGXAWJL-UHFFFAOYSA-N
XLogP2.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol 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

1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763923
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956086
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol (CID 102956063) is 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol is CCC(N)C(c1ccccc1C)N1CCC(C)C(O)C1.
What is the InChIKey of 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol?
The InChIKey is OKWUOCQNGXAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15(18)17(14-8-6-5-7-12(14)2)19-10-9-13(3)16(20)11-19/h5-8,13,15-17,20H,4,9-11,18H2,1-3H3.
What are the key properties of 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol has a molecular weight of 276.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).