2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol

C12H26N2O2 — CID 138743279

IUPAC2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
SMILESCC(C)(C)N1CCN(CC(CO)CO)CC1
InChIInChI=1S/C12H26N2O2/c1-12(2,3)14-6-4-13(5-7-14)8-11(9-15)10-16/h11,15-16H,4-10H2,1-3H3
InChIKeyBSJAMDRQUXSZFH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.00
Rot. Bonds4

About 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol

2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol (PubChem CID 138743279) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
PubChem CID138743279
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
SMILESCC(C)(C)N1CCN(CC(CO)CO)CC1
InChIInChI=1S/C12H26N2O2/c1-12(2,3)14-6-4-13(5-7-14)8-11(9-15)10-16/h11,15-16H,4-10H2,1-3H3
InChIKeyBSJAMDRQUXSZFH-UHFFFAOYSA-N
XLogP0.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
2-[(4-aminopiperazin-1-yl)methyl]propane-1,3-diol
CID 123457361
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
methyl 3-(4-tert-butylpiperazin-1-yl)-2-methylpropanoate
CID 61432891
1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
1-tert-butyl-3-(2-methylpropyl)imidazolidine
CID 130368535
1-tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 153484479

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol (CID 138743279) is 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol is CC(C)(C)N1CCN(CC(CO)CO)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol?
The InChIKey is BSJAMDRQUXSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2,3)14-6-4-13(5-7-14)8-11(9-15)10-16/h11,15-16H,4-10H2,1-3H3.
What are the key properties of 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol?
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol has a molecular weight of 230.35 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 138743279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).