(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

C17H25NO — CID 59668615

IUPAC(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SMILESCC(C)C[C@@H]1CN2CCc3ccccc3[C@H]2C[C@H]1O
InChIInChI=1S/C17H25NO/c1-12(2)9-14-11-18-8-7-13-5-3-4-6-15(13)16(18)10-17(14)19/h3-6,12,14,16-17,19H,7-11H2,1-2H3/t14-,16-,17-/m1/s1
InChIKeyKDYCZBYSKYWDCW-DJIMGWMZSA-N
MW259.39 g/mol
LogP3.01
Rot. Bonds2

About (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (PubChem CID 59668615) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.

Molecular Properties

Compound Name(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
PubChem CID59668615
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SMILESCC(C)C[C@@H]1CN2CCc3ccccc3[C@H]2C[C@H]1O
InChIInChI=1S/C17H25NO/c1-12(2)9-14-11-18-8-7-13-5-3-4-6-15(13)16(18)10-17(14)19/h3-6,12,14,16-17,19H,7-11H2,1-2H3/t14-,16-,17-/m1/s1
InChIKeyKDYCZBYSKYWDCW-DJIMGWMZSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The IUPAC name of (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol (CID 59668615) is (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol.
What is the SMILES notation for (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The canonical SMILES for (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is CC(C)C[C@@H]1CN2CCc3ccccc3[C@H]2C[C@H]1O.
What is the InChIKey of (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
The InChIKey is KDYCZBYSKYWDCW-DJIMGWMZSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)9-14-11-18-8-7-13-5-3-4-6-15(13)16(18)10-17(14)19/h3-6,12,14,16-17,19H,7-11H2,1-2H3/t14-,16-,17-/m1/s1.
What are the key properties of (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol?
(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol is sourced from PubChem (CID 59668615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).