5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol

C15H20N2O — CID 592370

IUPAC5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol
SMILESOCCC#CCN1CCCC(c2cccnc2)C1
InChIInChI=1S/C15H20N2O/c18-11-3-1-2-9-17-10-5-7-15(13-17)14-6-4-8-16-12-14/h4,6,8,12,15,18H,3,5,7,9-11,13H2
InChIKeyDPRNUFMZVBXDCN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds3

About 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol

5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol (PubChem CID 592370) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol.

Molecular Properties

Compound Name5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol
PubChem CID592370
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol
SMILESOCCC#CCN1CCCC(c2cccnc2)C1
InChIInChI=1S/C15H20N2O/c18-11-3-1-2-9-17-10-5-7-15(13-17)14-6-4-8-16-12-14/h4,6,8,12,15,18H,3,5,7,9-11,13H2
InChIKeyDPRNUFMZVBXDCN-UHFFFAOYSA-N
XLogP1.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol?
The IUPAC name of 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol (CID 592370) is 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol.
What is the SMILES notation for 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol?
The canonical SMILES for 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol is OCCC#CCN1CCCC(c2cccnc2)C1.
What is the InChIKey of 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol?
The InChIKey is DPRNUFMZVBXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-11-3-1-2-9-17-10-5-7-15(13-17)14-6-4-8-16-12-14/h4,6,8,12,15,18H,3,5,7,9-11,13H2.
What are the key properties of 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol?
5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol has a molecular weight of 244.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-3-ylpiperidin-1-yl)pent-3-yn-1-ol is sourced from PubChem (CID 592370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).