4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride

C21H24ClNO — CID 16682316

IUPAC4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride
SMILESCC1CCCN1CC#CC(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-18-10-8-16-22(18)17-9-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2-7,11-14,18,23H,8,10,16-17H2,1H3;1H
InChIKeyGCXVQEDSLYNMPY-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.83
Rot. Bonds3

About 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride

4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride (PubChem CID 16682316) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride
PubChem CID16682316
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride
SMILESCC1CCCN1CC#CC(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-18-10-8-16-22(18)17-9-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2-7,11-14,18,23H,8,10,16-17H2,1H3;1H
InChIKeyGCXVQEDSLYNMPY-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
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 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride (CID 16682316) is 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride is CC1CCCN1CC#CC(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
The InChIKey is GCXVQEDSLYNMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-18-10-8-16-22(18)17-9-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2-7,11-14,18,23H,8,10,16-17H2,1H3;1H.
What are the key properties of 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride?
4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)-1,1-diphenylbut-2-yn-1-ol;hydrochloride is sourced from PubChem (CID 16682316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).