ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate

C19H23NO2 — CID 765394

IUPACethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)17-9-11-20(12-10-17)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyQMABPSHLNSASFK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.61
Rot. Bonds4

About ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate

ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 765394) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate
PubChem CID765394
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)17-9-11-20(12-10-17)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3
InChIKeyQMABPSHLNSASFK-UHFFFAOYSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate (CID 765394) is ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is QMABPSHLNSASFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-22-19(21)17-9-11-20(12-10-17)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-8,13,17H,2,9-12,14H2,1H3.
What are the key properties of ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate?
ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(naphthalen-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 765394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).