N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline

C15H24N2 — CID 71219351

IUPACN-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCNc1cccc(CCN2CCC(C)CC2)c1
InChIInChI=1S/C15H24N2/c1-13-6-9-17(10-7-13)11-8-14-4-3-5-15(12-14)16-2/h3-5,12-13,16H,6-11H2,1-2H3
InChIKeyBSALDWQDVPYAAU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline

N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline (PubChem CID 71219351) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
PubChem CID71219351
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCNc1cccc(CCN2CCC(C)CC2)c1
InChIInChI=1S/C15H24N2/c1-13-6-9-17(10-7-13)11-8-14-4-3-5-15(12-14)16-2/h3-5,12-13,16H,6-11H2,1-2H3
InChIKeyBSALDWQDVPYAAU-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea
CID 167926144
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
CID 116925958
ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 143242088
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 155946258
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
3-[2-(3-methylpyrrolidin-1-yl)ethyl]benzonitrile
CID 76775692
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
N-methyl-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]aniline
CID 145463368
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
CID 110905075
3-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044526

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline (CID 71219351) is N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline is CNc1cccc(CCN2CCC(C)CC2)c1.
What is the InChIKey of N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The InChIKey is BSALDWQDVPYAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-6-9-17(10-7-13)11-8-14-4-3-5-15(12-14)16-2/h3-5,12-13,16H,6-11H2,1-2H3.
What are the key properties of N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 71219351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).