2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol

C16H26N2O — CID 114593654

IUPAC2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
SMILESCC1CC(C)C(C)N(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C16H26N2O/c1-10-7-11(2)13(4)18(9-10)14-5-6-15(12(3)17)16(19)8-14/h5-6,8,10-13,19H,7,9,17H2,1-4H3
InChIKeyRYLMCRQTWURGDX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.28
Rot. Bonds2

About 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol

2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol (PubChem CID 114593654) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
PubChem CID114593654
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
SMILESCC1CC(C)C(C)N(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C16H26N2O/c1-10-7-11(2)13(4)18(9-10)14-5-6-15(12(3)17)16(19)8-14/h5-6,8,10-13,19H,7,9,17H2,1-4H3
InChIKeyRYLMCRQTWURGDX-UHFFFAOYSA-N
XLogP3.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol
CID 79603740
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
CID 79603304
(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592056
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-methylpiperazine-2,6-dione
CID 79603571
2-(1-aminoethyl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenol
CID 79603996
2-fluoro-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarbothioamide
CID 114593328
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
2-ethoxy-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592000
2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 114593511
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
4-[4-(1-aminoethyl)-3-hydroxyphenyl]-3-ethylpiperazine-2,6-dione
CID 79603828

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol (CID 114593654) is 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol is CC1CC(C)C(C)N(c2ccc(C(C)N)c(O)c2)C1.
What is the InChIKey of 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol?
The InChIKey is RYLMCRQTWURGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-7-11(2)13(4)18(9-10)14-5-6-15(12(3)17)16(19)8-14/h5-6,8,10-13,19H,7,9,17H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol?
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol has a molecular weight of 262.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol is sourced from PubChem (CID 114593654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).