ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate

C17H25NO2 — CID 2837868

IUPACethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(CC)cc2)C1
InChIInChI=1S/C17H25NO2/c1-3-14-7-9-15(10-8-14)12-18-11-5-6-16(13-18)17(19)20-4-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyKQZWBIAMOJVZGT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.02
Rot. Bonds5

About ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 2837868) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate
PubChem CID2837868
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(CC)cc2)C1
InChIInChI=1S/C17H25NO2/c1-3-14-7-9-15(10-8-14)12-18-11-5-6-16(13-18)17(19)20-4-2/h7-10,16H,3-6,11-13H2,1-2H3
InChIKeyKQZWBIAMOJVZGT-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate (CID 2837868) is ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccc(CC)cc2)C1.
What is the InChIKey of ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is KQZWBIAMOJVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-14-7-9-15(10-8-14)12-18-11-5-6-16(13-18)17(19)20-4-2/h7-10,16H,3-6,11-13H2,1-2H3.
What are the key properties of ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-ethylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2837868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).