4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline

C15H24N2 — CID 61421994

IUPAC4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
SMILESCCC1CCN(Cc2ccc(N)c(C)c2)CC1
InChIInChI=1S/C15H24N2/c1-3-13-6-8-17(9-7-13)11-14-4-5-15(16)12(2)10-14/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyYAKVPHBTPIJFGE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.20
Rot. Bonds3

About 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline

4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline (PubChem CID 61421994) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
PubChem CID61421994
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
SMILESCCC1CCN(Cc2ccc(N)c(C)c2)CC1
InChIInChI=1S/C15H24N2/c1-3-13-6-8-17(9-7-13)11-14-4-5-15(16)12(2)10-14/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChIKeyYAKVPHBTPIJFGE-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol
CID 113225380
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline (CID 61421994) is 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline is CCC1CCN(Cc2ccc(N)c(C)c2)CC1.
What is the InChIKey of 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The InChIKey is YAKVPHBTPIJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-6-8-17(9-7-13)11-14-4-5-15(16)12(2)10-14/h4-5,10,13H,3,6-9,11,16H2,1-2H3.
What are the key properties of 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline?
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline is sourced from PubChem (CID 61421994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).