1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

C14H26ClNO2 — CID 45283656

IUPAC1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESC#CC(C)(CC)OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-4-14(3,5-2)17-12-13(16)11-15-9-7-6-8-10-15;/h1,13,16H,5-12H2,2-3H3;1H
InChIKeyKTWGLVABJDADHG-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.07
Rot. Bonds6

About 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 45283656) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID45283656
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESC#CC(C)(CC)OCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-4-14(3,5-2)17-12-13(16)11-15-9-7-6-8-10-15;/h1,13,16H,5-12H2,2-3H3;1H
InChIKeyKTWGLVABJDADHG-UHFFFAOYSA-N
XLogP2.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.07
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-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 45283656) is 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is C#CC(C)(CC)OCC(O)CN1CCCCC1.Cl.
What is the InChIKey of 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is KTWGLVABJDADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.ClH/c1-4-14(3,5-2)17-12-13(16)11-15-9-7-6-8-10-15;/h1,13,16H,5-12H2,2-3H3;1H.
What are the key properties of 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpent-1-yn-3-yloxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 45283656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).