CID 123586539

C7H15BNO — CID 123586539

IUPAC—
SMILESO[B]CCN1CCCCC1
InChIInChI=1S/C7H15BNO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-7H2
InChIKeyGTAHNZIUKAXCNX-UHFFFAOYSA-N
MW140.02 g/mol
LogP0.50
Rot. Bonds3

About CID 123586539

CID 123586539 (PubChem CID 123586539) has the molecular formula C7H15BNO and a molecular weight of 140.02 g/mol.

Molecular Properties

Compound NameCID 123586539
PubChem CID123586539
Molecular FormulaC7H15BNO
Molecular Weight140.02 g/mol
Exact Mass140.12
IUPAC Name—
SMILESO[B]CCN1CCCCC1
InChIInChI=1S/C7H15BNO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-7H2
InChIKeyGTAHNZIUKAXCNX-UHFFFAOYSA-N
XLogP0.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.02
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(2-piperidin-1-ylethanol);dihydroiodide
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3-(azepan-1-yl)propanethioamide
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methanol;1-propylpiperidine
CID 171515121
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
2-piperidin-1-ylethanesulfinic acid
CID 59286125
methane;2-piperidin-1-ylethanamine
CID 158303452

Frequently Asked Questions

What is the IUPAC name of CID 123586539?
The IUPAC name of CID 123586539 (CID 123586539) is not available.
What is the SMILES notation for CID 123586539?
The canonical SMILES for CID 123586539 is O[B]CCN1CCCCC1.
What is the InChIKey of CID 123586539?
The InChIKey is GTAHNZIUKAXCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BNO/c10-8-4-7-9-5-2-1-3-6-9/h10H,1-7H2.
What are the key properties of CID 123586539?
CID 123586539 has a molecular weight of 140.02 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123586539 is sourced from PubChem (CID 123586539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).