benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate

C21H30N2O3 — CID 110678516

IUPACbenzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H30N2O3/c1-16-8-6-9-17(2)23(16)20(24)19-12-7-13-22(14-19)21(25)26-15-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3
InChIKeyZKUCNGUVHGWKKO-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.82
Rot. Bonds3

About benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate

benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 110678516) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID110678516
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namebenzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H30N2O3/c1-16-8-6-9-17(2)23(16)20(24)19-12-7-13-22(14-19)21(25)26-15-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3
InChIKeyZKUCNGUVHGWKKO-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678502
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (3R)-3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]sulfonylpiperidine-1-carboxylate
CID 97023935
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate (CID 110678516) is benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate is CC1CCCC(C)N1C(=O)C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is ZKUCNGUVHGWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-8-6-9-17(2)23(16)20(24)19-12-7-13-22(14-19)21(25)26-15-18-10-4-3-5-11-18/h3-5,10-11,16-17,19H,6-9,12-15H2,1-2H3.
What are the key properties of benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate?
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110678516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).