benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate

C16H23NO3 — CID 70943335

IUPACbenzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C16H23NO3/c1-3-14-9-10-17(11-15(14)19-2)16(18)20-12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyWWVMWETXAJVXNE-HUUCEWRRSA-N
MW277.36 g/mol
LogP3.07
Rot. Bonds4

About benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate

benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate (PubChem CID 70943335) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
PubChem CID70943335
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namebenzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
SMILESCC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1OC
InChIInChI=1S/C16H23NO3/c1-3-14-9-10-17(11-15(14)19-2)16(18)20-12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyWWVMWETXAJVXNE-HUUCEWRRSA-N
XLogP3.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-methoxy-4-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 130892793
benzyl (3S,4R)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 155921089
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 46939493
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063
benzyl (3S,4R,5R)-3,4-dihydroxy-5-methoxypiperidine-1-carboxylate
CID 42638861

Frequently Asked Questions

What is the IUPAC name of benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate (CID 70943335) is benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate is CC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1OC.
What is the InChIKey of benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate?
The InChIKey is WWVMWETXAJVXNE-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-14-9-10-17(11-15(14)19-2)16(18)20-12-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate?
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 70943335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).