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

C16H27N3 — CID 65347613

IUPAC3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
SMILESCN1CCC(CN(C)CCc2cccc(N)c2)CC1
InChIInChI=1S/C16H27N3/c1-18-9-7-15(8-10-18)13-19(2)11-6-14-4-3-5-16(17)12-14/h3-5,12,15H,6-11,13,17H2,1-2H3
InChIKeyWGUNRMBVFQUULI-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.08
Rot. Bonds5

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

3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline (PubChem CID 65347613) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
PubChem CID65347613
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
SMILESCN1CCC(CN(C)CCc2cccc(N)c2)CC1
InChIInChI=1S/C16H27N3/c1-18-9-7-15(8-10-18)13-19(2)11-6-14-4-3-5-16(17)12-14/h3-5,12,15H,6-11,13,17H2,1-2H3
InChIKeyWGUNRMBVFQUULI-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline?
The IUPAC name of 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline (CID 65347613) is 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline?
The canonical SMILES for 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline is CN1CCC(CN(C)CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline?
The InChIKey is WGUNRMBVFQUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18-9-7-15(8-10-18)13-19(2)11-6-14-4-3-5-16(17)12-14/h3-5,12,15H,6-11,13,17H2,1-2H3.
What are the key properties of 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline?
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline is sourced from PubChem (CID 65347613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).