N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

C19H32N2 — CID 64584815

IUPACN-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCCN(CC1(CCC)CCNCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-5-16-21(18-9-7-6-8-10-18)17-19(11-4-2)12-14-20-15-13-19/h6-10,20H,3-5,11-17H2,1-2H3
InChIKeyJWOQUUXGLHQGFT-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds8

About N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (PubChem CID 64584815) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
PubChem CID64584815
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCCN(CC1(CCC)CCNCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-3-5-16-21(18-9-7-6-8-10-18)17-19(11-4-2)12-14-20-15-13-19/h6-10,20H,3-5,11-17H2,1-2H3
InChIKeyJWOQUUXGLHQGFT-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-[(4-propylpiperidin-4-yl)methyl]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-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (CID 64584815) is N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is CCCCN(CC1(CCC)CCNCC1)c1ccccc1.
What is the InChIKey of N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The InChIKey is JWOQUUXGLHQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-5-16-21(18-9-7-6-8-10-18)17-19(11-4-2)12-14-20-15-13-19/h6-10,20H,3-5,11-17H2,1-2H3.
What are the key properties of N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline has a molecular weight of 288.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 64584815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).