3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol

C14H30N2O2 — CID 178049851

IUPAC3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol
SMILESCC(C)N1CCN(CCOC(C)(C)CCO)CC1
InChIInChI=1S/C14H30N2O2/c1-13(2)16-8-6-15(7-9-16)10-12-18-14(3,4)5-11-17/h13,17H,5-12H2,1-4H3
InChIKeyZLNBPFFZOLTYKH-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.19
Rot. Bonds7

About 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol

3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol (PubChem CID 178049851) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol
PubChem CID178049851
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol
SMILESCC(C)N1CCN(CCOC(C)(C)CCO)CC1
InChIInChI=1S/C14H30N2O2/c1-13(2)16-8-6-15(7-9-16)10-12-18-14(3,4)5-11-17/h13,17H,5-12H2,1-4H3
InChIKeyZLNBPFFZOLTYKH-UHFFFAOYSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol 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

2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 64797300
2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 169019370
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-(2-bromoethyl)-4-propan-2-ylpiperazine
CID 53415431
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
1-[3-methyl-3-(1-methylpiperidin-4-yl)butyl]-4-propan-2-ylpiperazine
CID 146604413
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
2-[4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 62309673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol?
The IUPAC name of 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol (CID 178049851) is 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol?
The canonical SMILES for 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol is CC(C)N1CCN(CCOC(C)(C)CCO)CC1.
What is the InChIKey of 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol?
The InChIKey is ZLNBPFFZOLTYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2)16-8-6-15(7-9-16)10-12-18-14(3,4)5-11-17/h13,17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol?
3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol is sourced from PubChem (CID 178049851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).