1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine

C17H28N2O — CID 107390702

IUPAC1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCOC1(C)CCCN(C(c2cccc(C)c2)C(C)N)C1
InChIInChI=1S/C17H28N2O/c1-13-7-5-8-15(11-13)16(14(2)18)19-10-6-9-17(3,12-19)20-4/h5,7-8,11,14,16H,6,9-10,12,18H2,1-4H3
InChIKeyVDCOUFBAGYJDBB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.88
Rot. Bonds4

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

1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine (PubChem CID 107390702) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
PubChem CID107390702
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
SMILESCOC1(C)CCCN(C(c2cccc(C)c2)C(C)N)C1
InChIInChI=1S/C17H28N2O/c1-13-7-5-8-15(11-13)16(14(2)18)19-10-6-9-17(3,12-19)20-4/h5,7-8,11,14,16H,6,9-10,12,18H2,1-4H3
InChIKeyVDCOUFBAGYJDBB-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-(2-fluorophenyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-2-amine
CID 107390723
2-(3,5-dimethylphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391351
4-[2-amino-1-(3-methylphenyl)propyl]piperazine-2,6-dione
CID 66085437
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
CID 63215904
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1S)-1-[4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]ethanamine
CID 107393087
1-[2-amino-1-(3-methylphenyl)propyl]-1,4-diazepan-5-one
CID 55136222
2-(4-bromophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107390778
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 107390754

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine (CID 107390702) is 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine is COC1(C)CCCN(C(c2cccc(C)c2)C(C)N)C1.
What is the InChIKey of 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
The InChIKey is VDCOUFBAGYJDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-7-5-8-15(11-13)16(14(2)18)19-10-6-9-17(3,12-19)20-4/h5,7-8,11,14,16H,6,9-10,12,18H2,1-4H3.
What are the key properties of 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine?
1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 107390702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).