CID 87065582

C8H14BNO2 — CID 87065582

IUPAC—
SMILES[B]N1CCCC[C@H]1CC(=O)OC
InChIInChI=1S/C8H14BNO2/c1-12-8(11)6-7-4-2-3-5-10(7)9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyLMPKNPKTIGXPLG-ZETCQYMHSA-N
MW167.02 g/mol
LogP0.49
Rot. Bonds2

About CID 87065582

CID 87065582 (PubChem CID 87065582) has the molecular formula C8H14BNO2 and a molecular weight of 167.02 g/mol.

Molecular Properties

Compound NameCID 87065582
PubChem CID87065582
Molecular FormulaC8H14BNO2
Molecular Weight167.02 g/mol
Exact Mass167.11
IUPAC Name—
SMILES[B]N1CCCC[C@H]1CC(=O)OC
InChIInChI=1S/C8H14BNO2/c1-12-8(11)6-7-4-2-3-5-10(7)9/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyLMPKNPKTIGXPLG-ZETCQYMHSA-N
XLogP0.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.02
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
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methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
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methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
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methyl 2-[1-(chloromethylsulfonyl)piperidin-2-yl]acetate
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methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
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5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861
methyl 2-[1-(diethylsulfamoyl)piperidin-2-yl]acetate
CID 54899577
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
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methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
CID 106828161

Frequently Asked Questions

What is the IUPAC name of CID 87065582?
The IUPAC name of CID 87065582 (CID 87065582) is not available.
What is the SMILES notation for CID 87065582?
The canonical SMILES for CID 87065582 is [B]N1CCCC[C@H]1CC(=O)OC.
What is the InChIKey of CID 87065582?
The InChIKey is LMPKNPKTIGXPLG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14BNO2/c1-12-8(11)6-7-4-2-3-5-10(7)9/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of CID 87065582?
CID 87065582 has a molecular weight of 167.02 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87065582 is sourced from PubChem (CID 87065582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).