(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine

C14H19N — CID 101053650

IUPAC(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESc1ccc([C@]23CCCCN2CCC3)cc1
InChIInChI=1S/C14H19N/c1-2-7-13(8-3-1)14-9-4-5-11-15(14)12-6-10-14/h1-3,7-8H,4-6,9-12H2/t14-/m1/s1
InChIKeyAFZADFHTABDZSJ-CQSZACIVSA-N
MW201.31 g/mol
LogP3.16
Rot. Bonds1

About (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine

(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine (PubChem CID 101053650) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
PubChem CID101053650
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
SMILESc1ccc([C@]23CCCCN2CCC3)cc1
InChIInChI=1S/C14H19N/c1-2-7-13(8-3-1)14-9-4-5-11-15(14)12-6-10-14/h1-3,7-8H,4-6,9-12H2/t14-/m1/s1
InChIKeyAFZADFHTABDZSJ-CQSZACIVSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline
CID 117274103
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621
1-(3-phenyloxetan-3-yl)piperidine
CID 141379975
(2S)-N-methyl-1-phenylpropan-2-amine;1-(1-phenylcyclohexyl)piperidine
CID 68763740
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
8a-(2-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 117274099
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087
1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
CID 71750128
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780

Frequently Asked Questions

What is the IUPAC name of (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The IUPAC name of (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine (CID 101053650) is (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine.
What is the SMILES notation for (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The canonical SMILES for (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine is c1ccc([C@]23CCCCN2CCC3)cc1.
What is the InChIKey of (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
The InChIKey is AFZADFHTABDZSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N/c1-2-7-13(8-3-1)14-9-4-5-11-15(14)12-6-10-14/h1-3,7-8H,4-6,9-12H2/t14-/m1/s1.
What are the key properties of (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine?
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine has a molecular weight of 201.31 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine is sourced from PubChem (CID 101053650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).