(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C21H32N2O — CID 11595089

IUPAC(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1cc([C@H]2CC[C@H]3CCCCN32)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H32N2O/c1-3-13-22(14-4-1)16-17-24-20-10-7-18(8-11-20)21-12-9-19-6-2-5-15-23(19)21/h7-8,10-11,19,21H,1-6,9,12-17H2/t19-,21-/m1/s1
InChIKeyHOQPEMLLDRJXOV-TZIWHRDSSA-N
MW328.50 g/mol
LogP4.24
Rot. Bonds5

About (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 11595089) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID11595089
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1cc([C@H]2CC[C@H]3CCCCN32)ccc1OCCN1CCCCC1
InChIInChI=1S/C21H32N2O/c1-3-13-22(14-4-1)16-17-24-20-10-7-18(8-11-20)21-12-9-19-6-2-5-15-23(19)21/h7-8,10-11,19,21H,1-6,9,12-17H2/t19-,21-/m1/s1
InChIKeyHOQPEMLLDRJXOV-TZIWHRDSSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734
N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
CID 59036105
1-[3-[4-(4-piperidin-1-ylcyclohexyl)phenoxy]propyl]piperidine
CID 56662041
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide
CID 10273596
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
CID 56675822
lithium 1-[2-(phenoxy)ethyl]piperidine
CID 57351466

Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 11595089) is (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is c1cc([C@H]2CC[C@H]3CCCCN32)ccc1OCCN1CCCCC1.
What is the InChIKey of (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is HOQPEMLLDRJXOV-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H32N2O/c1-3-13-22(14-4-1)16-17-24-20-10-7-18(8-11-20)21-12-9-19-6-2-5-15-23(19)21/h7-8,10-11,19,21H,1-6,9,12-17H2/t19-,21-/m1/s1.
What are the key properties of (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
(3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 328.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 11595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).