1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine

C17H28N2O — CID 102967295

IUPAC1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
SMILESCOC1CCCN(CCC(N)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-13-9-14(2)11-15(10-13)17(18)6-8-19-7-4-5-16(12-19)20-3/h9-11,16-17H,4-8,12,18H2,1-3H3
InChIKeyPCNLARXLKZRPMJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine

1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine (PubChem CID 102967295) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
PubChem CID102967295
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine
SMILESCOC1CCCN(CCC(N)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-13-9-14(2)11-15(10-13)17(18)6-8-19-7-4-5-16(12-19)20-3/h9-11,16-17H,4-8,12,18H2,1-3H3
InChIKeyPCNLARXLKZRPMJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965565
3-(3-methoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 103538996
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine (CID 102967295) is 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine is COC1CCCN(CCC(N)c2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine?
The InChIKey is PCNLARXLKZRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-9-14(2)11-15(10-13)17(18)6-8-19-7-4-5-16(12-19)20-3/h9-11,16-17H,4-8,12,18H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine?
1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-methoxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 102967295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).