4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline

C15H24N2 — CID 43584622

IUPAC4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
SMILESCCC1CCCN(Cc2ccc(N)c(C)c2)C1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-8-17(10-13)11-14-6-7-15(16)12(2)9-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyFWXYEJHEKURAGA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.20
Rot. Bonds3

About 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline

4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline (PubChem CID 43584622) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
PubChem CID43584622
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
SMILESCCC1CCCN(Cc2ccc(N)c(C)c2)C1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-8-17(10-13)11-14-6-7-15(16)12(2)9-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyFWXYEJHEKURAGA-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-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
[4-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472214
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
CID 83982751
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640
1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
CID 130679519
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The IUPAC name of 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline (CID 43584622) is 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The canonical SMILES for 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline is CCC1CCCN(Cc2ccc(N)c(C)c2)C1.
What is the InChIKey of 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline?
The InChIKey is FWXYEJHEKURAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-5-4-8-17(10-13)11-14-6-7-15(16)12(2)9-14/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of 4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline?
4-[(3-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-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline is sourced from PubChem (CID 43584622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).