2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

C17H27N3 — CID 63075904

IUPAC2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-16(18)6-5-7-17(14)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h5-7,15H,2-4,8-13,18H2,1H3
InChIKeyWPDAKDCFQDHTEX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline

2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (PubChem CID 63075904) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
PubChem CID63075904
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-16(18)6-5-7-17(14)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h5-7,15H,2-4,8-13,18H2,1H3
InChIKeyWPDAKDCFQDHTEX-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The IUPAC name of 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline (CID 63075904) is 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The canonical SMILES for 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is Cc1c(N)cccc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The InChIKey is WPDAKDCFQDHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-16(18)6-5-7-17(14)20-12-8-15(9-13-20)19-10-3-2-4-11-19/h5-7,15H,2-4,8-13,18H2,1H3.
What are the key properties of 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline?
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline has a molecular weight of 273.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 63075904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).