5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol

C12H21NO — CID 2835455

IUPAC5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol
SMILESCC(O)C#CCN1C(C)CCCC1C
InChIInChI=1S/C12H21NO/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14/h10-12,14H,4,6-7,9H2,1-3H3
InChIKeyOJLCSTOZJSMUKT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.63
Rot. Bonds1

About 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol

5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol (PubChem CID 2835455) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol
PubChem CID2835455
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol
SMILESCC(O)C#CCN1C(C)CCCC1C
InChIInChI=1S/C12H21NO/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14/h10-12,14H,4,6-7,9H2,1-3H3
InChIKeyOJLCSTOZJSMUKT-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol (CID 2835455) is 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol is CC(O)C#CCN1C(C)CCCC1C.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol?
The InChIKey is OJLCSTOZJSMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14/h10-12,14H,4,6-7,9H2,1-3H3.
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol?
5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol has a molecular weight of 195.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol is sourced from PubChem (CID 2835455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).