benzyl 3-acetyloxypiperidine-1-carboxylate

C15H19NO4 — CID 15251723

IUPACbenzyl 3-acetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-12(17)20-14-8-5-9-16(10-14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyXBZZNIKZCRGCSP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds3

About benzyl 3-acetyloxypiperidine-1-carboxylate

benzyl 3-acetyloxypiperidine-1-carboxylate (PubChem CID 15251723) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl 3-acetyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-acetyloxypiperidine-1-carboxylate
PubChem CID15251723
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl 3-acetyloxypiperidine-1-carboxylate
SMILESCC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-12(17)20-14-8-5-9-16(10-14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3
InChIKeyXBZZNIKZCRGCSP-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-acetyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl 3-acetyloxypiperidine-1-carboxylate (CID 15251723) is benzyl 3-acetyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-acetyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-acetyloxypiperidine-1-carboxylate is CC(=O)OC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-acetyloxypiperidine-1-carboxylate?
The InChIKey is XBZZNIKZCRGCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-12(17)20-14-8-5-9-16(10-14)15(18)19-11-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3.
What are the key properties of benzyl 3-acetyloxypiperidine-1-carboxylate?
benzyl 3-acetyloxypiperidine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-acetyloxypiperidine-1-carboxylate is sourced from PubChem (CID 15251723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).