1-prop-2-ynylpiperidin-4-ol;hydrochloride

C8H14ClNO — CID 146626948

IUPAC1-prop-2-ynylpiperidin-4-ol;hydrochloride
SMILESC#CCN1CCC(O)CC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h1,8,10H,3-7H2;1H
InChIKeyRNIUPJLFRSFZBQ-UHFFFAOYSA-N
MW175.66 g/mol
LogP0.50
Rot. Bonds1

About 1-prop-2-ynylpiperidin-4-ol;hydrochloride

1-prop-2-ynylpiperidin-4-ol;hydrochloride (PubChem CID 146626948) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-prop-2-ynylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-prop-2-ynylpiperidin-4-ol;hydrochloride
PubChem CID146626948
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name1-prop-2-ynylpiperidin-4-ol;hydrochloride
SMILESC#CCN1CCC(O)CC1.Cl
InChIInChI=1S/C8H13NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h1,8,10H,3-7H2;1H
InChIKeyRNIUPJLFRSFZBQ-UHFFFAOYSA-N
XLogP0.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 111544194
1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
1-prop-2-ynylpyrrolidine-3-carboxamide
CID 87958018
4-piperidin-1-yl-1-prop-2-ynylpiperidine
CID 51086786
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
CID 67523899
1-prop-2-ynyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 130992420
tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
3-(1-prop-2-ynylpiperidin-4-yl)propanenitrile
CID 131003081

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylpiperidin-4-ol;hydrochloride?
The IUPAC name of 1-prop-2-ynylpiperidin-4-ol;hydrochloride (CID 146626948) is 1-prop-2-ynylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-prop-2-ynylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 1-prop-2-ynylpiperidin-4-ol;hydrochloride is C#CCN1CCC(O)CC1.Cl.
What is the InChIKey of 1-prop-2-ynylpiperidin-4-ol;hydrochloride?
The InChIKey is RNIUPJLFRSFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h1,8,10H,3-7H2;1H.
What are the key properties of 1-prop-2-ynylpiperidin-4-ol;hydrochloride?
1-prop-2-ynylpiperidin-4-ol;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 146626948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).