methyl 1-piperidin-1-ylnaphthalene-2-carboxylate

C17H19NO2 — CID 15355678

IUPACmethyl 1-piperidin-1-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1N1CCCCC1
InChIInChI=1S/C17H19NO2/c1-20-17(19)15-10-9-13-7-3-4-8-14(13)16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyRMKUUYSANNNPJF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.62
Rot. Bonds2

About methyl 1-piperidin-1-ylnaphthalene-2-carboxylate

methyl 1-piperidin-1-ylnaphthalene-2-carboxylate (PubChem CID 15355678) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 1-piperidin-1-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-1-ylnaphthalene-2-carboxylate
PubChem CID15355678
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 1-piperidin-1-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1N1CCCCC1
InChIInChI=1S/C17H19NO2/c1-20-17(19)15-10-9-13-7-3-4-8-14(13)16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-12H2,1H3
InChIKeyRMKUUYSANNNPJF-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-1-ylnaphthalene-2-carboxylate?
The IUPAC name of methyl 1-piperidin-1-ylnaphthalene-2-carboxylate (CID 15355678) is methyl 1-piperidin-1-ylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-piperidin-1-ylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-piperidin-1-ylnaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1N1CCCCC1.
What is the InChIKey of methyl 1-piperidin-1-ylnaphthalene-2-carboxylate?
The InChIKey is RMKUUYSANNNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)15-10-9-13-7-3-4-8-14(13)16(15)18-11-5-2-6-12-18/h3-4,7-10H,2,5-6,11-12H2,1H3.
What are the key properties of methyl 1-piperidin-1-ylnaphthalene-2-carboxylate?
methyl 1-piperidin-1-ylnaphthalene-2-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-1-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 15355678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).