2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

C17H28N2 — CID 62331775

IUPAC2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CN1CCC(C)CC1C)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)17(18-4)12-19-10-9-14(2)11-15(19)3/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyJXKFQDDADKWHMS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine

2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 62331775) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID62331775
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CN1CCC(C)CC1C)c1ccc(C)cc1
InChIInChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)17(18-4)12-19-10-9-14(2)11-15(19)3/h5-8,14-15,17-18H,9-12H2,1-4H3
InChIKeyJXKFQDDADKWHMS-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 63469493
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63467078
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 63494884
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 62331651
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine (CID 62331775) is 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CN1CCC(C)CC1C)c1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is JXKFQDDADKWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-7-16(8-6-13)17(18-4)12-19-10-9-14(2)11-15(19)3/h5-8,14-15,17-18H,9-12H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine?
2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62331775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).