4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline

C22H35N3 — CID 68988298

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline
SMILESc1cc(C2CCC3CCCCN32)ccc1NCCCC1CCCNC1
InChIInChI=1S/C22H35N3/c1-2-16-25-21(7-1)12-13-22(25)19-8-10-20(11-9-19)24-15-4-6-18-5-3-14-23-17-18/h8-11,18,21-24H,1-7,12-17H2
InChIKeyYYMQGLCVTQSMRE-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.57
Rot. Bonds6

About 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline (PubChem CID 68988298) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline
PubChem CID68988298
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline
SMILESc1cc(C2CCC3CCCCN32)ccc1NCCCC1CCCNC1
InChIInChI=1S/C22H35N3/c1-2-16-25-21(7-1)12-13-22(25)19-8-10-20(11-9-19)24-15-4-6-18-5-3-14-23-17-18/h8-11,18,21-24H,1-7,12-17H2
InChIKeyYYMQGLCVTQSMRE-UHFFFAOYSA-N
XLogP4.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

(3R,8aR)-3-[4-(1-piperidin-3-ylbut-3-yn-2-yloxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11674747
(3S,8aR)-3-[4-(1-piperidin-3-ylbut-3-yn-2-yloxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 87647852
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(7-oxa-2-azabicyclo[4.1.0]hepta-1,3,5-trien-5-ylmethyl)aniline
CID 11695462
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
CID 103568715
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
3-(2-phenylpyrrolidin-1-yl)azepane
CID 114218538
N-(2,2-difluoroethyl)-3-piperidin-3-ylpropan-1-amine
CID 115407510
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
2-(2-piperidin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79932356
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline (CID 68988298) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline is c1cc(C2CCC3CCCCN32)ccc1NCCCC1CCCNC1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline?
The InChIKey is YYMQGLCVTQSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3/c1-2-16-25-21(7-1)12-13-22(25)19-8-10-20(11-9-19)24-15-4-6-18-5-3-14-23-17-18/h8-11,18,21-24H,1-7,12-17H2.
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline has a molecular weight of 341.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)-N-(3-piperidin-3-ylpropyl)aniline is sourced from PubChem (CID 68988298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).