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

C13H24ClNO — CID 2835452

IUPAC5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC#CC(C)(C)O.Cl
InChIInChI=1S/C13H23NO.ClH/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15;/h11-12,15H,5,7-8,10H2,1-4H3;1H
InChIKeyRILFLLFCCOMVSS-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.45
Rot. Bonds1

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

5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride (PubChem CID 2835452) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride.

Molecular Properties

Compound Name5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride
PubChem CID2835452
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride
SMILESCC1CCCC(C)N1CC#CC(C)(C)O.Cl
InChIInChI=1S/C13H23NO.ClH/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15;/h11-12,15H,5,7-8,10H2,1-4H3;1H
InChIKeyRILFLLFCCOMVSS-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.45
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)-2-methylpent-3-yn-2-ol;hydrochloride?
The IUPAC name of 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride (CID 2835452) is 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride.
What is the SMILES notation for 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride?
The canonical SMILES for 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride is CC1CCCC(C)N1CC#CC(C)(C)O.Cl.
What is the InChIKey of 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride?
The InChIKey is RILFLLFCCOMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.ClH/c1-11-7-5-8-12(2)14(11)10-6-9-13(3,4)15;/h11-12,15H,5,7-8,10H2,1-4H3;1H.
What are the key properties of 5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride?
5-(2,6-dimethylpiperidin-1-yl)-2-methylpent-3-yn-2-ol;hydrochloride has a molecular weight of 245.79 g/mol, XLogP of 2.45, 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)-2-methylpent-3-yn-2-ol;hydrochloride is sourced from PubChem (CID 2835452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).