5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride

C22H26ClN2O- — CID 53351498

IUPAC5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride
SMILESCN1CCN(CC#CCC(O)(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C22H26N2O.ClH/c1-23-16-18-24(19-17-23)15-9-8-14-22(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-7,10-13,25H,14-19H2,1H3;1H/p-1
InChIKeyIWNXMGLPXVQBNM-UHFFFAOYSA-M
MW369.92 g/mol
LogP-0.43
Rot. Bonds4

About 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride

5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride (PubChem CID 53351498) has the molecular formula C22H26ClN2O- and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride
PubChem CID53351498
Molecular FormulaC22H26ClN2O-
Molecular Weight369.92 g/mol
Exact Mass369.17
IUPAC Name5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride
SMILESCN1CCN(CC#CCC(O)(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C22H26N2O.ClH/c1-23-16-18-24(19-17-23)15-9-8-14-22(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-7,10-13,25H,14-19H2,1H3;1H/p-1
InChIKeyIWNXMGLPXVQBNM-UHFFFAOYSA-M
XLogP-0.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 5-0.43
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 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride (CID 53351498) is 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride is CN1CCN(CC#CCC(O)(c2ccccc2)c2ccccc2)CC1.[Cl-].
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride?
The InChIKey is IWNXMGLPXVQBNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26N2O.ClH/c1-23-16-18-24(19-17-23)15-9-8-14-22(25,20-10-4-2-5-11-20)21-12-6-3-7-13-21;/h2-7,10-13,25H,14-19H2,1H3;1H/p-1.
What are the key properties of 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride?
5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride has a molecular weight of 369.92 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-1,1-diphenylpent-3-yn-1-ol chloride is sourced from PubChem (CID 53351498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).