1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine

C17H28N2O — CID 115304050

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-13-6-7-16(20-5)15(12-13)14(2)19-10-8-17(3,18-4)9-11-19/h6-7,12,14,18H,8-11H2,1-5H3
InChIKeyJBXOXRAOJLSGGR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds4

About 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine

1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304050) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304050
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2cc(C)ccc2OC)CC1
InChIInChI=1S/C17H28N2O/c1-13-6-7-16(20-5)15(12-13)14(2)19-10-8-17(3,18-4)9-11-19/h6-7,12,14,18H,8-11H2,1-5H3
InChIKeyJBXOXRAOJLSGGR-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-N,4-dimethylpiperidin-4-amine
CID 115304160
1-(2-methoxy-4-methylphenyl)-N,4-dimethylpiperidin-4-amine
CID 166899283
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
(2-methoxy-5-methylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79059206
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine (CID 115304050) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(C(C)c2cc(C)ccc2OC)CC1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is JBXOXRAOJLSGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-7-16(20-5)15(12-13)14(2)19-10-8-17(3,18-4)9-11-19/h6-7,12,14,18H,8-11H2,1-5H3.
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).