2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

C20H30N2O — CID 23723601

IUPAC2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(CC#Cc2ccccc2)CC1CCO
InChIInChI=1S/C20H30N2O/c1-20(2,3)17-22-14-13-21(16-19(22)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,11-17H2,1-3H3
InChIKeyDLJPAIPAHXZAGR-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.45
Rot. Bonds4

About 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol

2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (PubChem CID 23723601) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
PubChem CID23723601
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(CC#Cc2ccccc2)CC1CCO
InChIInChI=1S/C20H30N2O/c1-20(2,3)17-22-14-13-21(16-19(22)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,11-17H2,1-3H3
InChIKeyDLJPAIPAHXZAGR-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.45
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

2-[1-Isobutyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16187550
2-[1-Cyclopentyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16188937
2-[1-(3-Methyl-2-buten-1-yl)-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16192433
2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
2-[4-(2,2-Dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723636
2-[4-Cyclobutyl-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 23723903
2-{4-[(2Z)-2-chloro-3-phenyl-2-propen-1-yl]-1-cyclohexyl-2-piperazinyl}ethanol
CID 16190637
2-[4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16190688
4-(4-{[4-Cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)-2-methylbut-3-yn-2-ol
CID 16190992
4-(4-{[4-Cyclopentyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol
CID 16191904
2-[4-(2,2-Diphenylethyl)-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16192486
2-[1-(1-Isopropyl-4-piperidinyl)-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 16192493

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol (CID 23723601) is 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(CC#Cc2ccccc2)CC1CCO.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
The InChIKey is DLJPAIPAHXZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-20(2,3)17-22-14-13-21(16-19(22)11-15-23)12-7-10-18-8-5-4-6-9-18/h4-6,8-9,19,23H,11-17H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol?
2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol has a molecular weight of 314.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-4-(3-phenylprop-2-ynyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).