CID 174692423

C11H20BNO2 — CID 174692423

IUPAC—
SMILES[B]C(CCCC)(C(=O)O)C1CCNCC1
InChIInChI=1S/C11H20BNO2/c1-2-3-6-11(12,10(14)15)9-4-7-13-8-5-9/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyJZANSNOTGTYOIR-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.59
Rot. Bonds5

About CID 174692423

CID 174692423 (PubChem CID 174692423) has the molecular formula C11H20BNO2 and a molecular weight of 209.10 g/mol.

Molecular Properties

Compound NameCID 174692423
PubChem CID174692423
Molecular FormulaC11H20BNO2
Molecular Weight209.10 g/mol
Exact Mass209.16
IUPAC Name—
SMILES[B]C(CCCC)(C(=O)O)C1CCNCC1
InChIInChI=1S/C11H20BNO2/c1-2-3-6-11(12,10(14)15)9-4-7-13-8-5-9/h9,13H,2-8H2,1H3,(H,14,15)
InChIKeyJZANSNOTGTYOIR-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.59
H-Bond Donors ≤ 52
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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CID 174928888
2-(piperidin-4-ylamino)-2-propylpentanoic acid
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CID 174952901
CID 174952901
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
piperidin-4-yl pentanoate
CID 45091374
2-piperidin-4-ylpropan-2-yl propanoate
CID 155605403
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
2-cyclopentyl-2-dimethylsilylhexanoic acid
CID 151529268
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
CID 174952934
CID 174952934
pentane-1,1,1-tricarboxylic acid
CID 19386814

Frequently Asked Questions

What is the IUPAC name of CID 174692423?
The IUPAC name of CID 174692423 (CID 174692423) is not available.
What is the SMILES notation for CID 174692423?
The canonical SMILES for CID 174692423 is [B]C(CCCC)(C(=O)O)C1CCNCC1.
What is the InChIKey of CID 174692423?
The InChIKey is JZANSNOTGTYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO2/c1-2-3-6-11(12,10(14)15)9-4-7-13-8-5-9/h9,13H,2-8H2,1H3,(H,14,15).
What are the key properties of CID 174692423?
CID 174692423 has a molecular weight of 209.10 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174692423 is sourced from PubChem (CID 174692423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).