benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate

C17H23NO4 — CID 174760460

IUPACbenzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
SMILESCC(C)C(=O)OC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c1-13(2)16(19)22-15-9-6-10-18(11-15)17(20)21-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyZEUPFIFOSYKVJM-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds4

About benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate

benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate (PubChem CID 174760460) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
PubChem CID174760460
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
SMILESCC(C)C(=O)OC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c1-13(2)16(19)22-15-9-6-10-18(11-15)17(20)21-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyZEUPFIFOSYKVJM-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3S)-3-(2,2-diethoxyethoxy)piperidine-1-carboxylate
CID 26385033
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (4R)-4-methylsulfonyloxyazepane-1-carboxylate
CID 59142667
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate (CID 174760460) is benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate is CC(C)C(=O)OC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate?
The InChIKey is ZEUPFIFOSYKVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(2)16(19)22-15-9-6-10-18(11-15)17(20)21-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate?
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 174760460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).