(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H19N — CID 13451070

IUPAC(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc([C@@H]2C[C@H]3CCCCN3C2)cc1
InChIInChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyJKECMGSANFSNJV-ZIAGYGMSSA-N
MW201.31 g/mol
LogP3.03
Rot. Bonds1

About (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 13451070) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID13451070
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1ccc([C@@H]2C[C@H]3CCCCN3C2)cc1
InChIInChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyJKECMGSANFSNJV-ZIAGYGMSSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
1-(3-phenylcyclohexyl)piperidine
CID 163210314
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10308007
4-(3-phenylcyclohexyl)morpholine
CID 174746441
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929782
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
2-(2-phenylcyclobutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 167120047
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874
(1S)-2-(3-phenylazetidin-1-yl)cyclohexan-1-ol
CID 175542563
2-(3-phenylazetidin-1-yl)cyclohexan-1-amine
CID 79677158

Frequently Asked Questions

What is the IUPAC name of (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 13451070) is (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is c1ccc([C@@H]2C[C@H]3CCCCN3C2)cc1.
What is the InChIKey of (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is JKECMGSANFSNJV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19N/c1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1.
What are the key properties of (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 201.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 13451070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).