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

C16H26N2 — CID 62414895

IUPAC4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)17-12-11-16-6-4-5-13-18(16)2/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyZIVVESQJWNMZLI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.54
Rot. Bonds5

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

4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 62414895) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID62414895
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCCc1ccc(NCCC2CCCCN2C)cc1
InChIInChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)17-12-11-16-6-4-5-13-18(16)2/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyZIVVESQJWNMZLI-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62413919
3,4-difluoro-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62416863
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-[(5-ethylthiophen-2-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 114136966
2-chloro-4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 107606615
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[(2,4-difluorophenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62415492
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60688002
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline (CID 62414895) is 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is CCc1ccc(NCCC2CCCCN2C)cc1.
What is the InChIKey of 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is ZIVVESQJWNMZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-7-9-15(10-8-14)17-12-11-16-6-4-5-13-18(16)2/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 62414895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).