(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol

C22H34N2O2 — CID 11870956

IUPAC(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
SMILESCOC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H34N2O2/c1-21(2,26-4)12-8-13-22(3,25)14-9-17-24-16-6-5-11-20(24)19-10-7-15-23-18-19/h7,10,15,18,20,25H,5-6,8,11-13,16-17H2,1-4H3/t20-,22-/m1/s1
InChIKeyUBZDIWVELVGWPC-IFMALSPDSA-N
MW358.53 g/mol
LogP3.96
Rot. Bonds7

About (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol

(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol (PubChem CID 11870956) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol.

Molecular Properties

Compound Name(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
PubChem CID11870956
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
SMILESCOC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1
InChIInChI=1S/C22H34N2O2/c1-21(2,26-4)12-8-13-22(3,25)14-9-17-24-16-6-5-11-20(24)19-10-7-15-23-18-19/h7,10,15,18,20,25H,5-6,8,11-13,16-17H2,1-4H3/t20-,22-/m1/s1
InChIKeyUBZDIWVELVGWPC-IFMALSPDSA-N
XLogP3.96
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(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)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
(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-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
(3S)-1-(4-methoxyphenyl)-3-methyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-ol
CID 11871006
9-methoxy-5,9-dimethyl-2-(2-pyridin-3-ylpiperidin-1-yl)dec-3-yn-5-ol
CID 5304092
(3S)-2,3-dimethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-1-en-4-yn-3-ol
CID 11870936
(4S)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-2-yn-4-ol
CID 11870953
1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 7069904

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol?
The IUPAC name of (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol (CID 11870956) is (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol.
What is the SMILES notation for (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol?
The canonical SMILES for (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol is COC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1.
What is the InChIKey of (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol?
The InChIKey is UBZDIWVELVGWPC-IFMALSPDSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-21(2,26-4)12-8-13-22(3,25)14-9-17-24-16-6-5-11-20(24)19-10-7-15-23-18-19/h7,10,15,18,20,25H,5-6,8,11-13,16-17H2,1-4H3/t20-,22-/m1/s1.
What are the key properties of (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol?
(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol has a molecular weight of 358.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol is sourced from PubChem (CID 11870956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).