N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

C17H28N2 — CID 116951835

IUPACN-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCNC(CC1CCNCC1)c1ccc(C)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(18-4)11-15-7-9-19-10-8-15/h5-6,15,17-19H,7-11H2,1-4H3
InChIKeyFIAACIYEXKKZAV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine

N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (PubChem CID 116951835) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
PubChem CID116951835
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
SMILESCNC(CC1CCNCC1)c1ccc(C)c(C)c1C
InChIInChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(18-4)11-15-7-9-19-10-8-15/h5-6,15,17-19H,7-11H2,1-4H3
InChIKeyFIAACIYEXKKZAV-UHFFFAOYSA-N
XLogP3.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
N-methyl-2-piperazin-1-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116954929
N'-cyclopropyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950683
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
N-methyl-2-piperidin-4-yl-1-thiophen-2-ylethanamine
CID 116951783
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
N'-ethyl-N-methyl-1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116950402
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine (CID 116951835) is N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is CNC(CC1CCNCC1)c1ccc(C)c(C)c1C.
What is the InChIKey of N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
The InChIKey is FIAACIYEXKKZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-5-6-16(14(3)13(12)2)17(18-4)11-15-7-9-19-10-8-15/h5-6,15,17-19H,7-11H2,1-4H3.
What are the key properties of N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine?
N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine is sourced from PubChem (CID 116951835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).