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

C12H22ClNO — CID 2835454

IUPAC5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride
SMILESCC(O)C#CCN1C(C)CCCC1C.Cl
InChIInChI=1S/C12H21NO.ClH/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14;/h10-12,14H,4,6-7,9H2,1-3H3;1H
InChIKeyRQJAODVASWDZJR-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.06
Rot. Bonds1

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

5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride (PubChem CID 2835454) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride
PubChem CID2835454
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride
SMILESCC(O)C#CCN1C(C)CCCC1C.Cl
InChIInChI=1S/C12H21NO.ClH/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14;/h10-12,14H,4,6-7,9H2,1-3H3;1H
InChIKeyRQJAODVASWDZJR-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride (CID 2835454) is 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride is CC(O)C#CCN1C(C)CCCC1C.Cl.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride?
The InChIKey is RQJAODVASWDZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.ClH/c1-10-6-4-7-11(2)13(10)9-5-8-12(3)14;/h10-12,14H,4,6-7,9H2,1-3H3;1H.
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride?
5-(2,6-dimethylpiperidin-1-yl)pent-3-yn-2-ol;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.06, 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;hydrochloride is sourced from PubChem (CID 2835454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).