2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine

C21H42N4O — CID 159950827

IUPAC2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2.C10H22N2O/c1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13/h1H,6-10H2,2-4H3;13H,4-9H2,1-3H3
InChIKeyOCBYPMRCUNWKGB-UHFFFAOYSA-N
MW366.59 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine

2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine (PubChem CID 159950827) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine
PubChem CID159950827
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2.C10H22N2O/c1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13/h1H,6-10H2,2-4H3;13H,4-9H2,1-3H3
InChIKeyOCBYPMRCUNWKGB-UHFFFAOYSA-N
XLogP1.43
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
1-tert-butyl-4-propylpiperazine
CID 58721754
2-(4-but-2-ynylpiperazin-1-yl)ethanol
CID 62310008
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanoyl chloride
CID 39255531
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107214071
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine (CID 159950827) is 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine is C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine?
The InChIKey is OCBYPMRCUNWKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H22N2O/c1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-10(2,3)12-6-4-11(5-7-12)8-9-13/h1H,6-10H2,2-4H3;13H,4-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine?
2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine has a molecular weight of 366.59 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)ethanol;1-tert-butyl-4-prop-2-ynylpiperazine is sourced from PubChem (CID 159950827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).