methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid

C10H22BN3O — CID 156684362

IUPACmethyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
SMILESCB(O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C10H22BN3O/c1-11(15)14-6-2-10(3-7-14)13-8-4-12-5-9-13/h10,12,15H,2-9H2,1H3
InChIKeyRLGWWGTYRQFZHQ-UHFFFAOYSA-N
MW211.12 g/mol
LogP-0.53
Rot. Bonds2

About methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid

methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid (PubChem CID 156684362) has the molecular formula C10H22BN3O and a molecular weight of 211.12 g/mol. Its IUPAC name is methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
PubChem CID156684362
Molecular FormulaC10H22BN3O
Molecular Weight211.12 g/mol
Exact Mass211.19
IUPAC Namemethyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid
SMILESCB(O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C10H22BN3O/c1-11(15)14-6-2-10(3-7-14)13-8-4-12-5-9-13/h10,12,15H,2-9H2,1H3
InChIKeyRLGWWGTYRQFZHQ-UHFFFAOYSA-N
XLogP-0.53
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 5-0.53
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

1-cyclopentylpiperazine;ethane
CID 143559542
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1-piperidin-4-yl-1,4-diazepane
CID 53414008
4-piperazin-1-ylcyclohexan-1-ol
CID 21256600
1-cycloheptylpiperazine;methane
CID 143122535
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-[(2S,4S)-1,2-dimethylpiperidin-4-yl]piperazine
CID 95913076
4-methyl-1-piperidin-4-ylpiperidin-4-ol;hydrochloride
CID 75464899
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015

Frequently Asked Questions

What is the IUPAC name of methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?
The IUPAC name of methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid (CID 156684362) is methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid.
What is the SMILES notation for methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?
The canonical SMILES for methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid is CB(O)N1CCC(N2CCNCC2)CC1.
What is the InChIKey of methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?
The InChIKey is RLGWWGTYRQFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BN3O/c1-11(15)14-6-2-10(3-7-14)13-8-4-12-5-9-13/h10,12,15H,2-9H2,1H3.
What are the key properties of methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid?
methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid has a molecular weight of 211.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-piperazin-1-ylpiperidin-1-yl)borinic acid is sourced from PubChem (CID 156684362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).