4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride

C12H15ClN2O — CID 162372026

IUPAC4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#Cc2ccccn2)CCNCC1
InChIInChI=1S/C12H14N2O.ClH/c15-12(6-9-13-10-7-12)5-4-11-3-1-2-8-14-11;/h1-3,8,13,15H,6-7,9-10H2;1H
InChIKeyABYYIDCUPDFLTQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP0.97
Rot. Bonds

About 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride

4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride (PubChem CID 162372026) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride
PubChem CID162372026
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(C#Cc2ccccn2)CCNCC1
InChIInChI=1S/C12H14N2O.ClH/c15-12(6-9-13-10-7-12)5-4-11-3-1-2-8-14-11;/h1-3,8,13,15H,6-7,9-10H2;1H
InChIKeyABYYIDCUPDFLTQ-UHFFFAOYSA-N
XLogP0.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
CID 141392805
2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride
CID 91623946
4-[2-(3-chlorophenyl)ethynyl]piperidin-4-ol
CID 59830226
tert-butyl 3-hydroxy-3-(2-pyridin-2-ylethynyl)azetidine-1-carboxylate
CID 90344395
3-fluoro-3-(2-pyridin-2-ylethynyl)pyrrolidine-1-carboxylic acid
CID 90344373
2-[2-(3-fluoro-1-phenylpyrrolidin-3-yl)ethynyl]pyridine
CID 86291451
4-[(pyridin-2-ylmethylamino)methyl]piperidin-4-ol
CID 82286679
1-(3-pyridin-2-ylprop-1-ynyl)cyclopropan-1-ol
CID 164660804
2-[2-[1-(2,6-difluorophenyl)-3-fluoropyrrolidin-3-yl]ethynyl]pyridine
CID 86291266
4-(pyridin-2-ylamino)piperidine-4-carboxylic acid
CID 131691989
2-[2-[1-(4-chlorophenyl)-3-fluoropyrrolidin-3-yl]ethynyl]pyridine
CID 86291172
2-[2-[3-fluoro-1-(4-phenylphenyl)pyrrolidin-3-yl]ethynyl]pyridine
CID 86291264

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride (CID 162372026) is 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride is Cl.OC1(C#Cc2ccccn2)CCNCC1.
What is the InChIKey of 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride?
The InChIKey is ABYYIDCUPDFLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c15-12(6-9-13-10-7-12)5-4-11-3-1-2-8-14-11;/h1-3,8,13,15H,6-7,9-10H2;1H.
What are the key properties of 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride?
4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 162372026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).