ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate

C19H23NO2 — CID 2838593

IUPACethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)17-10-6-12-20(14-17)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,2,6,10,12-14H2,1H3
InChIKeySJCRQQDKUWTIJP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.61
Rot. Bonds4

About ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate

ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate (PubChem CID 2838593) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
PubChem CID2838593
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2/c1-2-22-19(21)17-10-6-12-20(14-17)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,2,6,10,12-14H2,1H3
InChIKeySJCRQQDKUWTIJP-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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Related Compounds

ethyl 1-[[2-(cyanomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 82135557
ethyl (3S)-1-[(2-nitrophenyl)methyl]piperidine-3-carboxylate
CID 81339233
ethyl (3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 104794493
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
N-(2-ethoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43919757
ethyl (3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 106995037
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate (CID 2838593) is ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate?
The InChIKey is SJCRQQDKUWTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-22-19(21)17-10-6-12-20(14-17)13-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,2,6,10,12-14H2,1H3.
What are the key properties of ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-carboxylate?
ethyl 1-(naphthalen-1-ylmethyl)piperidine-3-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-1-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 2838593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).