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

C15H24N2O — CID 79603304

IUPAC2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
SMILESCC(N)c1ccc(N2CCCC(C)C2C)cc1O
InChIInChI=1S/C15H24N2O/c1-10-5-4-8-17(12(10)3)13-6-7-14(11(2)16)15(18)9-13/h6-7,9-12,18H,4-5,8,16H2,1-3H3
InChIKeyRUJJFHAUWYDWTP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds2

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

2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol (PubChem CID 79603304) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
PubChem CID79603304
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol
SMILESCC(N)c1ccc(N2CCCC(C)C2C)cc1O
InChIInChI=1S/C15H24N2O/c1-10-5-4-8-17(12(10)3)13-6-7-14(11(2)16)15(18)9-13/h6-7,9-12,18H,4-5,8,16H2,1-3H3
InChIKeyRUJJFHAUWYDWTP-UHFFFAOYSA-N
XLogP3.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
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

(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 114069110
2-(1-aminoethyl)-5-(2,3,5-trimethylpiperidin-1-yl)phenol
CID 114593654
2-(1-aminoethyl)-5-(2,5-dimethylpiperidin-1-yl)phenol
CID 79603740
(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
CID 78940969
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 62124442
(1S)-1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 55190676
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
2-(difluoromethoxy)-4-(2,3-dimethylpiperidin-1-yl)aniline
CID 165477384
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593
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-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
CID 79603647

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol (CID 79603304) is 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol is CC(N)c1ccc(N2CCCC(C)C2C)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol?
The InChIKey is RUJJFHAUWYDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-5-4-8-17(12(10)3)13-6-7-14(11(2)16)15(18)9-13/h6-7,9-12,18H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol?
2-(1-aminoethyl)-5-(2,3-dimethylpiperidin-1-yl)phenol has a molecular weight of 248.37 g/mol, XLogP of 3.04, 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-dimethylpiperidin-1-yl)phenol is sourced from PubChem (CID 79603304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).