N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline

C16H26N2 — CID 62930831

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-14(13-17-15-7-5-4-6-8-15)18-11-9-16(2,3)10-12-18/h4-8,14,17H,9-13H2,1-3H3
InChIKeyUXNLWXLWHWBGLG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.61
Rot. Bonds4

About N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline

N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline (PubChem CID 62930831) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
PubChem CID62930831
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-14(13-17-15-7-5-4-6-8-15)18-11-9-16(2,3)10-12-18/h4-8,14,17H,9-13H2,1-3H3
InChIKeyUXNLWXLWHWBGLG-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4,4-dimethylpiperidin-1-yl)propyl]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 N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline (CID 62930831) is N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline is CC(CNc1ccccc1)N1CCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline?
The InChIKey is UXNLWXLWHWBGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(13-17-15-7-5-4-6-8-15)18-11-9-16(2,3)10-12-18/h4-8,14,17H,9-13H2,1-3H3.
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline?
N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 62930831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).