N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine

C23H37N3 — CID 11559476

IUPACN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)C1CCCN(C)C1
InChIInChI=1S/C23H37N3/c1-3-15-25(22-8-6-16-24(2)18-22)21-11-9-19(10-12-21)23-14-13-20-7-4-5-17-26(20)23/h9-12,20,22-23H,3-8,13-18H2,1-2H3/t20-,22?,23-/m1/s1
InChIKeyVDUJKNPEZPRQEW-WPLVIQRKSA-N
MW355.57 g/mol
LogP4.69
Rot. Bonds5

About N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine

N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine (PubChem CID 11559476) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine
PubChem CID11559476
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)C1CCCN(C)C1
InChIInChI=1S/C23H37N3/c1-3-15-25(22-8-6-16-24(2)18-22)21-11-9-19(10-12-21)23-14-13-20-7-4-5-17-26(20)23/h9-12,20,22-23H,3-8,13-18H2,1-2H3/t20-,22?,23-/m1/s1
InChIKeyVDUJKNPEZPRQEW-WPLVIQRKSA-N
XLogP4.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine?
The IUPAC name of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine (CID 11559476) is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine?
The canonical SMILES for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine is CCCN(c1ccc([C@H]2CC[C@H]3CCCCN32)cc1)C1CCCN(C)C1.
What is the InChIKey of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine?
The InChIKey is VDUJKNPEZPRQEW-WPLVIQRKSA-N. The full InChI is InChI=1S/C23H37N3/c1-3-15-25(22-8-6-16-24(2)18-22)21-11-9-19(10-12-21)23-14-13-20-7-4-5-17-26(20)23/h9-12,20,22-23H,3-8,13-18H2,1-2H3/t20-,22?,23-/m1/s1.
What are the key properties of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine?
N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine has a molecular weight of 355.57 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-1-methyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 11559476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).