(1-carbonochloridoylpiperidin-4-yl) acetate

C8H12ClNO3 — CID 12035567

IUPAC(1-carbonochloridoylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H12ClNO3/c1-6(11)13-7-2-4-10(5-3-7)8(9)12/h7H,2-5H2,1H3
InChIKeyVFQHAVANUPQLCQ-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.37
Rot. Bonds1

About (1-carbonochloridoylpiperidin-4-yl) acetate

(1-carbonochloridoylpiperidin-4-yl) acetate (PubChem CID 12035567) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is (1-carbonochloridoylpiperidin-4-yl) acetate.

Molecular Properties

Compound Name(1-carbonochloridoylpiperidin-4-yl) acetate
PubChem CID12035567
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name(1-carbonochloridoylpiperidin-4-yl) acetate
SMILESCC(=O)OC1CCN(C(=O)Cl)CC1
InChIInChI=1S/C8H12ClNO3/c1-6(11)13-7-2-4-10(5-3-7)8(9)12/h7H,2-5H2,1H3
InChIKeyVFQHAVANUPQLCQ-UHFFFAOYSA-N
XLogP1.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-piperidyl acetate
CID 151427
1-(Methyl-11C)-4-piperidinyl acetate
CID 450361
Methyl 4-methoxypiperidine-1-carboxylate
CID 25198866
1-Methylpiperidin-4-yl (1-~13~C)acetate
CID 66995449
4-Piperidinol, 1-methyl-, propanoate, hydrochloride
CID 12391964
1-Acetylpiperidin-4-YL acetate
CID 20644464
1-Methylpiperidin-4-yl carbonochloridate
CID 14762750
Methyl 4-(acetyloxy)-1-piperidinecarboxylate
CID 21580771
1-Ethyl-4-propionoxypiperidine hydrochloride
CID 24843022
methyl (3R,4R)-4-acetyloxy-3-iodopiperidine-1-carboxylate
CID 21580772
(1-Ethylpiperidin-4-yl) acetate
CID 11480704
(1-Carbonochloridoylpiperidin-4-yl) 2-methylpropanoate
CID 17993166

Frequently Asked Questions

What is the IUPAC name of (1-carbonochloridoylpiperidin-4-yl) acetate?
The IUPAC name of (1-carbonochloridoylpiperidin-4-yl) acetate (CID 12035567) is (1-carbonochloridoylpiperidin-4-yl) acetate.
What is the SMILES notation for (1-carbonochloridoylpiperidin-4-yl) acetate?
The canonical SMILES for (1-carbonochloridoylpiperidin-4-yl) acetate is CC(=O)OC1CCN(C(=O)Cl)CC1.
What is the InChIKey of (1-carbonochloridoylpiperidin-4-yl) acetate?
The InChIKey is VFQHAVANUPQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3/c1-6(11)13-7-2-4-10(5-3-7)8(9)12/h7H,2-5H2,1H3.
What are the key properties of (1-carbonochloridoylpiperidin-4-yl) acetate?
(1-carbonochloridoylpiperidin-4-yl) acetate has a molecular weight of 205.64 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbonochloridoylpiperidin-4-yl) acetate is sourced from PubChem (CID 12035567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).