(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol

C16H22N2O2 — CID 930010

IUPAC(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
SMILESOc1ccc2c(c1)[C@H]1CCCC[C@]1(N1CCOCC1)N2
InChIInChI=1S/C16H22N2O2/c19-12-4-5-15-13(11-12)14-3-1-2-6-16(14,17-15)18-7-9-20-10-8-18/h4-5,11,14,17,19H,1-3,6-10H2/t14-,16-/m1/s1
InChIKeyUZZKWAMKOZSOMS-GDBMZVCRSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds1

About (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol

(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol (PubChem CID 930010) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol.

Molecular Properties

Compound Name(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
PubChem CID930010
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
SMILESOc1ccc2c(c1)[C@H]1CCCC[C@]1(N1CCOCC1)N2
InChIInChI=1S/C16H22N2O2/c19-12-4-5-15-13(11-12)14-3-1-2-6-16(14,17-15)18-7-9-20-10-8-18/h4-5,11,14,17,19H,1-3,6-10H2/t14-,16-/m1/s1
InChIKeyUZZKWAMKOZSOMS-GDBMZVCRSA-N
XLogP2.50
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol with MolForge

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Related Compounds

(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
CID 131886728
(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 6954366
3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 627722
4-fluoro-1,2,3,4-tetrahydroquinolin-6-ol
CID 84717188
1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 105493140
5,6,7,9-tetrahydro-4bH-carbazol-3-ol
CID 67863746
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
CID 115098139
4-amino-3-(oxan-4-yl)phenol
CID 117104375
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol
CID 115008451
(2-methylthiophen-3-yl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 102831426

Frequently Asked Questions

What is the IUPAC name of (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol?
The IUPAC name of (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol (CID 930010) is (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol.
What is the SMILES notation for (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol?
The canonical SMILES for (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol is Oc1ccc2c(c1)[C@H]1CCCC[C@]1(N1CCOCC1)N2.
What is the InChIKey of (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol?
The InChIKey is UZZKWAMKOZSOMS-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-12-4-5-15-13(11-12)14-3-1-2-6-16(14,17-15)18-7-9-20-10-8-18/h4-5,11,14,17,19H,1-3,6-10H2/t14-,16-/m1/s1.
What are the key properties of (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol?
(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol has a molecular weight of 274.36 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol is sourced from PubChem (CID 930010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).