1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine

C16H26N2 — CID 54975580

IUPAC1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc(C)c2C)C(C)C1
InChIInChI=1S/C16H26N2/c1-5-17-15-9-10-18(13(3)11-15)16-8-6-7-12(2)14(16)4/h6-8,13,15,17H,5,9-11H2,1-4H3
InChIKeyPZBNXNHIAWYETD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine

1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine (PubChem CID 54975580) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
PubChem CID54975580
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc(C)c2C)C(C)C1
InChIInChI=1S/C16H26N2/c1-5-17-15-9-10-18(13(3)11-15)16-8-6-7-12(2)14(16)4/h6-8,13,15,17H,5,9-11H2,1-4H3
InChIKeyPZBNXNHIAWYETD-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
N-ethyl-2-methyl-1-(4-methyl-3-pyridinyl)piperidin-4-amine
CID 55202268
1-(4-bromo-2-methylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975744
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 62234271
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpiperidin-4-amine
CID 54975441
1-(2-bromo-5-methylphenyl)-2-methyl-N-propylpiperidin-4-amine
CID 82757596
(2S,4R)-N,1-diethyl-2-phenylpiperidin-4-amine
CID 165141986
N-ethyl-2-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
CID 106896358
1-(2-chloro-4,6-difluorophenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 83088384
3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine
CID 155035289
N-ethyl-2-methyl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 63248087

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine (CID 54975580) is 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine is CCNC1CCN(c2cccc(C)c2C)C(C)C1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
The InChIKey is PZBNXNHIAWYETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-17-15-9-10-18(13(3)11-15)16-8-6-7-12(2)14(16)4/h6-8,13,15,17H,5,9-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine?
1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 54975580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).