2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol

C9H19BN2O2 — CID 20701022

IUPAC2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)CC1CNCCN1CB=O
InChIInChI=1S/C9H19BN2O2/c1-9(2,13)5-8-6-11-3-4-12(8)7-10-14/h8,11,13H,3-7H2,1-2H3
InChIKeyMMEKQISRWJDKKP-UHFFFAOYSA-N
MW198.07 g/mol
LogP-0.57
Rot. Bonds4

About 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol

2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol (PubChem CID 20701022) has the molecular formula C9H19BN2O2 and a molecular weight of 198.07 g/mol. Its IUPAC name is 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol
PubChem CID20701022
Molecular FormulaC9H19BN2O2
Molecular Weight198.07 g/mol
Exact Mass198.15
IUPAC Name2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)CC1CNCCN1CB=O
InChIInChI=1S/C9H19BN2O2/c1-9(2,13)5-8-6-11-3-4-12(8)7-10-14/h8,11,13H,3-7H2,1-2H3
InChIKeyMMEKQISRWJDKKP-UHFFFAOYSA-N
XLogP-0.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-piperazin-1-ylpentan-2-ol
CID 12052556
(S)-2-methyl-1-piperazin-2-yl-propan-2-ol
CID 45099480
3-(2-Hydroxy-2-methylpropyl)piperazine-1-carboxylic acid
CID 68663877
2-Methyl-1-piperazin-2-ylpropan-2-ol
CID 69212654
2,4-Dimethyl-4-piperazin-1-ylpentan-2-ol
CID 123392132
1-(5-Ethylpiperazin-2-yl)-2-methylpropan-2-ol
CID 123687719
3-[(6-Methylpiperazin-2-yl)methyl]pentan-3-ol
CID 140201835
2-Methyl-1-(5-methylpiperazin-2-yl)propan-2-ol
CID 140201841
2-Methyl-1-(6-methylpiperazin-2-yl)propan-2-ol
CID 140201846
3-[(5,6-Dimethylpiperazin-2-yl)methyl]pentan-3-ol
CID 140201849
3-(Piperazin-2-ylmethyl)pentan-3-ol
CID 140201854
1-(5,6-Dimethylpiperazin-2-yl)-2-methylpropan-2-ol
CID 140201857

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol (CID 20701022) is 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol is CC(C)(O)CC1CNCCN1CB=O.
What is the InChIKey of 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol?
The InChIKey is MMEKQISRWJDKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BN2O2/c1-9(2,13)5-8-6-11-3-4-12(8)7-10-14/h8,11,13H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol?
2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol has a molecular weight of 198.07 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(oxoboranylmethyl)piperazin-2-yl]propan-2-ol is sourced from PubChem (CID 20701022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).