9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol

C23H36N2O2 — CID 5304092

IUPAC9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol
SMILESCOC(C)(C)CCCC(C)(O)C#CC(C)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H36N2O2/c1-19(12-15-23(4,26)14-9-13-22(2,3)27-5)25-17-7-6-11-21(25)20-10-8-16-24-18-20/h8,10,16,18-19,21,26H,6-7,9,11,13-14,17H2,1-5H3
InChIKeyRBNPONNUFQLAEM-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.35
Rot. Bonds7

About 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol

9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol (PubChem CID 5304092) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol.

Molecular Properties

Compound Name9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol
PubChem CID5304092
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol
SMILESCOC(C)(C)CCCC(C)(O)C#CC(C)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H36N2O2/c1-19(12-15-23(4,26)14-9-13-22(2,3)27-5)25-17-7-6-11-21(25)20-10-8-16-24-18-20/h8,10,16,18-19,21,26H,6-7,9,11,13-14,17H2,1-5H3
InChIKeyRBNPONNUFQLAEM-UHFFFAOYSA-N
XLogP4.35
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol with MolForge

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Launch Full Analysis

Related Compounds

(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
CID 11870956
(4S)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-2-yn-4-ol
CID 11870953
(4R)-4-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7069917
(4S)-4-methyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 11870940
(4R,8S,12R)-4,8,12,16-tetramethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]heptadec-2-yn-4-ol
CID 25427498
(4S,8R,12S)-4,8,12,16-tetramethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]heptadec-2-yn-4-ol
CID 51444902
(4R)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
(3S)-1-(4-methoxyphenyl)-3-methyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-ol
CID 11871006
(4R)-4-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-7-en-2-yn-4-ol
CID 7327608
(3S)-3-methyl-1-phenyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-ol
CID 11870992
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol?
The IUPAC name of 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol (CID 5304092) is 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol.
What is the SMILES notation for 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol?
The canonical SMILES for 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol is COC(C)(C)CCCC(C)(O)C#CC(C)N1CCCCC1c1cccnc1.
What is the InChIKey of 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol?
The InChIKey is RBNPONNUFQLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-19(12-15-23(4,26)14-9-13-22(2,3)27-5)25-17-7-6-11-21(25)20-10-8-16-24-18-20/h8,10,16,18-19,21,26H,6-7,9,11,13-14,17H2,1-5H3.
What are the key properties of 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol?
9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol has a molecular weight of 372.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol is sourced from PubChem (CID 5304092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).