methyl-(2-propylpiperazin-1-yl)borinic acid

C8H19BN2O — CID 20644591

IUPACmethyl-(2-propylpiperazin-1-yl)borinic acid
SMILESCCCC1CNCCN1B(C)O
InChIInChI=1S/C8H19BN2O/c1-3-4-8-7-10-5-6-11(8)9(2)12/h8,10,12H,3-7H2,1-2H3
InChIKeyYBFKMIZPDWNOCA-UHFFFAOYSA-N
MW170.07 g/mol
LogP0.17
Rot. Bonds3

About methyl-(2-propylpiperazin-1-yl)borinic acid

methyl-(2-propylpiperazin-1-yl)borinic acid (PubChem CID 20644591) has the molecular formula C8H19BN2O and a molecular weight of 170.07 g/mol. Its IUPAC name is methyl-(2-propylpiperazin-1-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(2-propylpiperazin-1-yl)borinic acid
PubChem CID20644591
Molecular FormulaC8H19BN2O
Molecular Weight170.07 g/mol
Exact Mass170.16
IUPAC Namemethyl-(2-propylpiperazin-1-yl)borinic acid
SMILESCCCC1CNCCN1B(C)O
InChIInChI=1S/C8H19BN2O/c1-3-4-8-7-10-5-6-11(8)9(2)12/h8,10,12H,3-7H2,1-2H3
InChIKeyYBFKMIZPDWNOCA-UHFFFAOYSA-N
XLogP0.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.07
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-2-propylpiperazine
CID 82923563
1-ethoxy-2-propylpiperazine
CID 174859898
1-phenyl-2-propylpiperazine
CID 70549920
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
N-ethyl-2-propylpiperazine-1-sulfonamide
CID 120719016
N-ethyl-2-propylpiperazine-1-sulfonamide;hydrochloride
CID 120719015
1-(oxan-4-ylmethyl)-2-propylpiperazine
CID 64832152
1-(3-methylsulfonylpropyl)-2-propylpiperazine
CID 64832534
(3-ethoxycyclobutyl)-(2-propylpiperazin-1-yl)methanone
CID 154740256
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933
2-propyl-1-(pyridin-4-ylmethyl)piperazine
CID 64832934

Frequently Asked Questions

What is the IUPAC name of methyl-(2-propylpiperazin-1-yl)borinic acid?
The IUPAC name of methyl-(2-propylpiperazin-1-yl)borinic acid (CID 20644591) is methyl-(2-propylpiperazin-1-yl)borinic acid.
What is the SMILES notation for methyl-(2-propylpiperazin-1-yl)borinic acid?
The canonical SMILES for methyl-(2-propylpiperazin-1-yl)borinic acid is CCCC1CNCCN1B(C)O.
What is the InChIKey of methyl-(2-propylpiperazin-1-yl)borinic acid?
The InChIKey is YBFKMIZPDWNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BN2O/c1-3-4-8-7-10-5-6-11(8)9(2)12/h8,10,12H,3-7H2,1-2H3.
What are the key properties of methyl-(2-propylpiperazin-1-yl)borinic acid?
methyl-(2-propylpiperazin-1-yl)borinic acid has a molecular weight of 170.07 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-propylpiperazin-1-yl)borinic acid is sourced from PubChem (CID 20644591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).