1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine

C18H30N2O — CID 102956236

IUPAC1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1C)N1CCC(C)C(OC)C1
InChIInChI=1S/C18H30N2O/c1-5-16(19)18(15-9-7-6-8-13(15)2)20-11-10-14(3)17(12-20)21-4/h6-9,14,16-18H,5,10-12,19H2,1-4H3
InChIKeyYQYVPECSHSFCKZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine

1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine (PubChem CID 102956236) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
PubChem CID102956236
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1ccccc1C)N1CCC(C)C(OC)C1
InChIInChI=1S/C18H30N2O/c1-5-16(19)18(15-9-7-6-8-13(15)2)20-11-10-14(3)17(12-20)21-4/h6-9,14,16-18H,5,10-12,19H2,1-4H3
InChIKeyYQYVPECSHSFCKZ-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763923
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine (CID 102956236) is 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine is CCC(N)C(c1ccccc1C)N1CCC(C)C(OC)C1.
What is the InChIKey of 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine?
The InChIKey is YQYVPECSHSFCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-16(19)18(15-9-7-6-8-13(15)2)20-11-10-14(3)17(12-20)21-4/h6-9,14,16-18H,5,10-12,19H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine?
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 102956236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).