(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol

C16H23NO2 — CID 3044358

IUPAC(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SMILESCOc1cccc([C@]2(O)CC[C@H]3CCCCN3C2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-7-4-5-13(11-15)16(18)9-8-14-6-2-3-10-17(14)12-16/h4-5,7,11,14,18H,2-3,6,8-10,12H2,1H3/t14-,16+/m1/s1
InChIKeyATZDJMFCVGWWEM-ZBFHGGJFSA-N
MW261.37 g/mol
LogP2.53
Rot. Bonds2

About (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol

(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol (PubChem CID 3044358) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol.

Molecular Properties

Compound Name(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
PubChem CID3044358
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
SMILESCOc1cccc([C@]2(O)CC[C@H]3CCCCN3C2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-7-4-5-13(11-15)16(18)9-8-14-6-2-3-10-17(14)12-16/h4-5,7,11,14,18H,2-3,6,8-10,12H2,1H3/t14-,16+/m1/s1
InChIKeyATZDJMFCVGWWEM-ZBFHGGJFSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol with MolForge

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Related Compounds

(3S,9aS)-3-phenyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
CID 24845925
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 71294230
1-cyclopentyl-3-phenylpyrrolidin-3-ol
CID 131904194
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
1-(3-methoxyphenyl)-2-morpholin-4-ylcyclohexan-1-ol
CID 3056591
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 12938005
1-(2,2-diphenylethyl)-3-(3-methoxyphenyl)piperidin-3-ol
CID 11560902
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
tert-butyl 3-hydroxy-3-(3-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958418
3-(3-methoxyphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171958423

Frequently Asked Questions

What is the IUPAC name of (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The IUPAC name of (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol (CID 3044358) is (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol.
What is the SMILES notation for (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The canonical SMILES for (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol is COc1cccc([C@]2(O)CC[C@H]3CCCCN3C2)c1.
What is the InChIKey of (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
The InChIKey is ATZDJMFCVGWWEM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15-7-4-5-13(11-15)16(18)9-8-14-6-2-3-10-17(14)12-16/h4-5,7,11,14,18H,2-3,6,8-10,12H2,1H3/t14-,16+/m1/s1.
What are the key properties of (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol?
(3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol has a molecular weight of 261.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9aR)-3-(3-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol is sourced from PubChem (CID 3044358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).