ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate

C21H27NO3 — CID 6459062

IUPACethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27NO3/c1-2-24-21(23)18-10-13-22(14-11-18)12-5-15-25-20-9-8-17-6-3-4-7-19(17)16-20/h3-4,6-9,16,18H,2,5,10-15H2,1H3
InChIKeyXBICVTDXJVTSOI-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.88
Rot. Bonds7

About ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate

ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate (PubChem CID 6459062) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
PubChem CID6459062
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nameethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCOc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H27NO3/c1-2-24-21(23)18-10-13-22(14-11-18)12-5-15-25-20-9-8-17-6-3-4-7-19(17)16-20/h3-4,6-9,16,18H,2,5,10-15H2,1H3
InChIKeyXBICVTDXJVTSOI-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[4-(2-bromophenoxy)butyl]piperidine-4-carboxylate
CID 6460985
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
CID 19498976
ethyl 1-[4-(2-chloro-4-methylphenoxy)butyl]piperidine-4-carboxylate
CID 6460755
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate (CID 6459062) is ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCCOc2ccc3ccccc3c2)CC1.
What is the InChIKey of ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate?
The InChIKey is XBICVTDXJVTSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-24-21(23)18-10-13-22(14-11-18)12-5-15-25-20-9-8-17-6-3-4-7-19(17)16-20/h3-4,6-9,16,18H,2,5,10-15H2,1H3.
What are the key properties of ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate?
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate is sourced from PubChem (CID 6459062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).