1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride

C21H31ClN2O — CID 5309456

IUPAC1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
SMILESCN1CCN(CC#CCC(O)(c2ccccc2)C2CCCC2)CC1.Cl
InChIInChI=1S/C21H30N2O.ClH/c1-22-15-17-23(18-16-22)14-8-7-13-21(24,20-11-5-6-12-20)19-9-3-2-4-10-19;/h2-4,9-10,20,24H,5-6,11-18H2,1H3;1H
InChIKeyUTNARMLTDJECBD-UHFFFAOYSA-N
MW362.95 g/mol
LogP3.13
Rot. Bonds4

About 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride

1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride (PubChem CID 5309456) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
PubChem CID5309456
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
SMILESCN1CCN(CC#CCC(O)(c2ccccc2)C2CCCC2)CC1.Cl
InChIInChI=1S/C21H30N2O.ClH/c1-22-15-17-23(18-16-22)14-8-7-13-21(24,20-11-5-6-12-20)19-9-3-2-4-10-19;/h2-4,9-10,20,24H,5-6,11-18H2,1H3;1H
InChIKeyUTNARMLTDJECBD-UHFFFAOYSA-N
XLogP3.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-cyclopentyl-5-morpholin-4-yl-1-phenylpent-3-yn-1-ol
CID 3796182
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
1-cyclohexyl-5-(diethylamino)-1-phenylpent-3-yn-1-ol chloride
CID 53350693
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
1-cyclohexyl-1-phenyl-5-pyrrolidin-1-ium-1-ylpent-3-yn-1-ol chloride
CID 44658814
(5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-ethyl-propan-2-ylazanium
CID 4223063
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride?
The IUPAC name of 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride (CID 5309456) is 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride?
The canonical SMILES for 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride is CN1CCN(CC#CCC(O)(c2ccccc2)C2CCCC2)CC1.Cl.
What is the InChIKey of 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride?
The InChIKey is UTNARMLTDJECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O.ClH/c1-22-15-17-23(18-16-22)14-8-7-13-21(24,20-11-5-6-12-20)19-9-3-2-4-10-19;/h2-4,9-10,20,24H,5-6,11-18H2,1H3;1H.
What are the key properties of 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride?
1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride has a molecular weight of 362.95 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride is sourced from PubChem (CID 5309456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).