benzene;ethyl 1-ethylpiperidine-4-carboxylate

C16H25NO2 — CID 90944118

IUPACbenzene;ethyl 1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC)CC1.c1ccccc1
InChIInChI=1S/C10H19NO2.C6H6/c1-3-11-7-5-9(6-8-11)10(12)13-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-6H
InChIKeyFSYORZDSMDUIFY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.97
Rot. Bonds3

About benzene;ethyl 1-ethylpiperidine-4-carboxylate

benzene;ethyl 1-ethylpiperidine-4-carboxylate (PubChem CID 90944118) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is benzene;ethyl 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzene;ethyl 1-ethylpiperidine-4-carboxylate
PubChem CID90944118
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebenzene;ethyl 1-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC)CC1.c1ccccc1
InChIInChI=1S/C10H19NO2.C6H6/c1-3-11-7-5-9(6-8-11)10(12)13-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-6H
InChIKeyFSYORZDSMDUIFY-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
CID 71035315

Frequently Asked Questions

What is the IUPAC name of benzene;ethyl 1-ethylpiperidine-4-carboxylate?
The IUPAC name of benzene;ethyl 1-ethylpiperidine-4-carboxylate (CID 90944118) is benzene;ethyl 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for benzene;ethyl 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for benzene;ethyl 1-ethylpiperidine-4-carboxylate is CCOC(=O)C1CCN(CC)CC1.c1ccccc1.
What is the InChIKey of benzene;ethyl 1-ethylpiperidine-4-carboxylate?
The InChIKey is FSYORZDSMDUIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H6/c1-3-11-7-5-9(6-8-11)10(12)13-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-6H.
What are the key properties of benzene;ethyl 1-ethylpiperidine-4-carboxylate?
benzene;ethyl 1-ethylpiperidine-4-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 90944118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).