2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol

C15H24N2O — CID 56771247

IUPAC2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(N)CC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-3-4-14(12(2)9-11)15(18)10-17-7-5-13(16)6-8-17/h3-4,9,13,15,18H,5-8,10,16H2,1-2H3
InChIKeyBJEHFRFHCSGQPL-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol

2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 56771247) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
PubChem CID56771247
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCC(N)CC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-11-3-4-14(12(2)9-11)15(18)10-17-7-5-13(16)6-8-17/h3-4,9,13,15,18H,5-8,10,16H2,1-2H3
InChIKeyBJEHFRFHCSGQPL-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol 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-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2,4-dimethylphenyl)ethanol
CID 63165368
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
1-(2,4-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62200913
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
(3R)-1-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]pyrrolidin-3-ol
CID 99850417
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
5-[(1R)-2-(4-aminopiperidin-1-yl)-1-hydroxyethyl]-4-methyl-3H-2-benzofuran-1-one
CID 86730581
2-(cyclopropylamino)-1-(2,4-dimethylphenyl)ethanol
CID 45096959

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol (CID 56771247) is 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)CN2CCC(N)CC2)c(C)c1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is BJEHFRFHCSGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-3-4-14(12(2)9-11)15(18)10-17-7-5-13(16)6-8-17/h3-4,9,13,15,18H,5-8,10,16H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol?
2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 56771247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).