1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol

C15H24N2O — CID 82070794

IUPAC1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCC(C)CC2)cc1N
InChIInChI=1S/C15H24N2O/c1-11-5-7-17(8-6-11)10-15(18)13-4-3-12(2)14(16)9-13/h3-4,9,11,15,18H,5-8,10,16H2,1-2H3
InChIKeyUYVPDOZTOUZODA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol

1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol (PubChem CID 82070794) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
PubChem CID82070794
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCC(C)CC2)cc1N
InChIInChI=1S/C15H24N2O/c1-11-5-7-17(8-6-11)10-15(18)13-4-3-12(2)14(16)9-13/h3-4,9,11,15,18H,5-8,10,16H2,1-2H3
InChIKeyUYVPDOZTOUZODA-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
CID 82071378
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
CID 82136088
2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
CID 106436295
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
N-[3-[1-hydroxy-2-(4-methylpiperidin-1-yl)ethyl]phenyl]acetamide
CID 82216344
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)ethanol
CID 82487771
2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82216418
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95336027

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol (CID 82070794) is 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol is Cc1ccc(C(O)CN2CCC(C)CC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol?
The InChIKey is UYVPDOZTOUZODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-7-17(8-6-11)10-15(18)13-4-3-12(2)14(16)9-13/h3-4,9,11,15,18H,5-8,10,16H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol?
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82070794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).