3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride

C8H14ClNO — CID 121207000

IUPAC3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride
SMILESCl.OCC#CC1CCNCC1
InChIInChI=1S/C8H13NO.ClH/c10-7-1-2-8-3-5-9-6-4-8;/h8-10H,3-7H2;1H
InChIKeySCTZMSJVGBUCQJ-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.40
Rot. Bonds

About 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride

3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride (PubChem CID 121207000) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride
PubChem CID121207000
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride
SMILESCl.OCC#CC1CCNCC1
InChIInChI=1S/C8H13NO.ClH/c10-7-1-2-8-3-5-9-6-4-8;/h8-10H,3-7H2;1H
InChIKeySCTZMSJVGBUCQJ-UHFFFAOYSA-N
XLogP0.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.40
H-Bond Donors ≤ 52
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 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride?
The IUPAC name of 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride (CID 121207000) is 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride.
What is the SMILES notation for 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride?
The canonical SMILES for 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride is Cl.OCC#CC1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride?
The InChIKey is SCTZMSJVGBUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c10-7-1-2-8-3-5-9-6-4-8;/h8-10H,3-7H2;1H.
What are the key properties of 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride?
3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylprop-2-yn-1-ol;hydrochloride is sourced from PubChem (CID 121207000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).