2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

C16H25N3 — CID 55159356

IUPAC2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-13-15(17)6-5-7-16(13)19-11-8-14(12-19)18-9-3-2-4-10-18/h5-7,14H,2-4,8-12,17H2,1H3
InChIKeyAEUZQVLYTBQGIX-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 55159356) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID55159356
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-13-15(17)6-5-7-16(13)19-11-8-14(12-19)18-9-3-2-4-10-18/h5-7,14H,2-4,8-12,17H2,1H3
InChIKeyAEUZQVLYTBQGIX-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.64
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

2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
2-(2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929866
2-(2,3-dimethylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930343
2-(3-fluoro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929349
[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171878
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
2-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 63512012
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (CID 55159356) is 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is Cc1c(N)cccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is AEUZQVLYTBQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-15(17)6-5-7-16(13)19-11-8-14(12-19)18-9-3-2-4-10-18/h5-7,14H,2-4,8-12,17H2,1H3.
What are the key properties of 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 259.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 55159356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).