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

C16H26N2O — CID 82071378

IUPAC1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
SMILESCCC1CCCCN1CC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H26N2O/c1-3-14-6-4-5-9-18(14)11-16(19)13-8-7-12(2)15(17)10-13/h7-8,10,14,16,19H,3-6,9,11,17H2,1-2H3
InChIKeyREWLVMZCOWIXTR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds4

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

1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol (PubChem CID 82071378) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
PubChem CID82071378
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
SMILESCCC1CCCCN1CC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H26N2O/c1-3-14-6-4-5-9-18(14)11-16(19)13-8-7-12(2)15(17)10-13/h7-8,10,14,16,19H,3-6,9,11,17H2,1-2H3
InChIKeyREWLVMZCOWIXTR-UHFFFAOYSA-N
XLogP2.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
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-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
2-(2-ethylpiperidin-1-yl)-1-(4-methoxy-2,6-dimethylphenyl)ethanol
CID 82216974
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-(3-amino-4-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propan-1-ol
CID 82136088
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 7746013

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol (CID 82071378) is 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol is CCC1CCCCN1CC(O)c1ccc(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol?
The InChIKey is REWLVMZCOWIXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-6-4-5-9-18(14)11-16(19)13-8-7-12(2)15(17)10-13/h7-8,10,14,16,19H,3-6,9,11,17H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol?
1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.88, 4 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-(2-ethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 82071378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).