2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol

C15H24N2O2 — CID 107393078

IUPAC2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
SMILESCOC1(C)CCCN(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(16)13-6-5-12(9-14(13)18)17-8-4-7-15(2,10-17)19-3/h5-6,9,11,18H,4,7-8,10,16H2,1-3H3
InChIKeyYAQLFMSFLXPFMS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.42
Rot. Bonds3

About 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol

2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol (PubChem CID 107393078) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
PubChem CID107393078
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol
SMILESCOC1(C)CCCN(c2ccc(C(C)N)c(O)c2)C1
InChIInChI=1S/C15H24N2O2/c1-11(16)13-6-5-12(9-14(13)18)17-8-4-7-15(2,10-17)19-3/h5-6,9,11,18H,4,7-8,10,16H2,1-3H3
InChIKeyYAQLFMSFLXPFMS-UHFFFAOYSA-N
XLogP2.42
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
2-(1-aminoethyl)-5-(8-azaspiro[4.5]decan-8-yl)phenol
CID 79603647
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylbenzoic acid
CID 107393006
(1R)-1-[5-(3-methoxy-3-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 107393509
(1R)-1-[3-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393114
2-[4-(3-methoxy-3-methylpiperidin-1-yl)-2-methylphenyl]ethanamine
CID 107395907
4-[4-(1-aminoethyl)-3-hydroxyphenyl]piperazine-2,6-dione
CID 79603399
5-(azocan-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603067
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]-4-methylazepan-4-ol
CID 107405265
2-(1-aminoethyl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenol
CID 79603996
N-[[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 107393813
1-[5-(3-methoxy-3-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
CID 107393045

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol (CID 107393078) is 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol is COC1(C)CCCN(c2ccc(C(C)N)c(O)c2)C1.
What is the InChIKey of 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol?
The InChIKey is YAQLFMSFLXPFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(16)13-6-5-12(9-14(13)18)17-8-4-7-15(2,10-17)19-3/h5-6,9,11,18H,4,7-8,10,16H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol?
2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol has a molecular weight of 264.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(3-methoxy-3-methylpiperidin-1-yl)phenol is sourced from PubChem (CID 107393078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).