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

C16H30ClNO2 — CID 45283657

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride
SMILESC#CC(C)(CC)OCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C16H29NO2.ClH/c1-6-16(5,7-2)19-12-15(18)11-17-9-13(3)8-14(4)10-17;/h1,13-15,18H,7-12H2,2-5H3;1H
InChIKeyYLVIXYREBKCECV-UHFFFAOYSA-N
MW303.87 g/mol
LogP2.57
Rot. Bonds6

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

1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride (PubChem CID 45283657) has the molecular formula C16H30ClNO2 and a molecular weight of 303.87 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride
PubChem CID45283657
Molecular FormulaC16H30ClNO2
Molecular Weight303.87 g/mol
Exact Mass303.20
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride
SMILESC#CC(C)(CC)OCC(O)CN1CC(C)CC(C)C1.Cl
InChIInChI=1S/C16H29NO2.ClH/c1-6-16(5,7-2)19-12-15(18)11-17-9-13(3)8-14(4)10-17;/h1,13-15,18H,7-12H2,2-5H3;1H
InChIKeyYLVIXYREBKCECV-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.87
LogP ≤ 52.57
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 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride (CID 45283657) is 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride is C#CC(C)(CC)OCC(O)CN1CC(C)CC(C)C1.Cl.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride?
The InChIKey is YLVIXYREBKCECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2.ClH/c1-6-16(5,7-2)19-12-15(18)11-17-9-13(3)8-14(4)10-17;/h1,13-15,18H,7-12H2,2-5H3;1H.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride?
1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride has a molecular weight of 303.87 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 45283657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).