2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline

C15H25N3 — CID 66417480

IUPAC2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
SMILESCCN1CCC(CNCc2ccccc2N)CC1
InChIInChI=1S/C15H25N3/c1-2-18-9-7-13(8-10-18)11-17-12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12,16H2,1H3
InChIKeyREBXJILGJMMSJE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.09
Rot. Bonds5

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

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline (PubChem CID 66417480) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
PubChem CID66417480
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
SMILESCCN1CCC(CNCc2ccccc2N)CC1
InChIInChI=1S/C15H25N3/c1-2-18-9-7-13(8-10-18)11-17-12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12,16H2,1H3
InChIKeyREBXJILGJMMSJE-UHFFFAOYSA-N
XLogP2.09
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
CID 66387988
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
CID 55203794
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
1-(1-ethylpiperidin-4-yl)-N-[(1-ethylpyrrol-2-yl)methyl]methanamine
CID 66444793
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
2-[[[4-(4-ethylpiperazin-1-yl)phenyl]methylamino]methyl]aniline
CID 83962235
3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
CID 60857376
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline (CID 66417480) is 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline is CCN1CCC(CNCc2ccccc2N)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline?
The InChIKey is REBXJILGJMMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-18-9-7-13(8-10-18)11-17-12-14-5-3-4-6-15(14)16/h3-6,13,17H,2,7-12,16H2,1H3.
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline?
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline is sourced from PubChem (CID 66417480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).