3-(2-naphthalen-2-ylethoxymethyl)piperidine

C18H23NO — CID 44784862

IUPAC3-(2-naphthalen-2-ylethoxymethyl)piperidine
SMILESc1ccc2cc(CCOCC3CCCNC3)ccc2c1
InChIInChI=1S/C18H23NO/c1-2-6-18-12-15(7-8-17(18)5-1)9-11-20-14-16-4-3-10-19-13-16/h1-2,5-8,12,16,19H,3-4,9-11,13-14H2
InChIKeyXPFBZEZFKAEGKU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.40
Rot. Bonds5

About 3-(2-naphthalen-2-ylethoxymethyl)piperidine

3-(2-naphthalen-2-ylethoxymethyl)piperidine (PubChem CID 44784862) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-naphthalen-2-ylethoxymethyl)piperidine.

Molecular Properties

Compound Name3-(2-naphthalen-2-ylethoxymethyl)piperidine
PubChem CID44784862
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(2-naphthalen-2-ylethoxymethyl)piperidine
SMILESc1ccc2cc(CCOCC3CCCNC3)ccc2c1
InChIInChI=1S/C18H23NO/c1-2-6-18-12-15(7-8-17(18)5-1)9-11-20-14-16-4-3-10-19-13-16/h1-2,5-8,12,16,19H,3-4,9-11,13-14H2
InChIKeyXPFBZEZFKAEGKU-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
6-(piperidin-3-ylmethoxymethyl)quinoline
CID 55060712
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
CID 55060808
(3R)-3-(2-phenoxyethyl)piperidine
CID 26192392
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620

Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-2-ylethoxymethyl)piperidine?
The IUPAC name of 3-(2-naphthalen-2-ylethoxymethyl)piperidine (CID 44784862) is 3-(2-naphthalen-2-ylethoxymethyl)piperidine.
What is the SMILES notation for 3-(2-naphthalen-2-ylethoxymethyl)piperidine?
The canonical SMILES for 3-(2-naphthalen-2-ylethoxymethyl)piperidine is c1ccc2cc(CCOCC3CCCNC3)ccc2c1.
What is the InChIKey of 3-(2-naphthalen-2-ylethoxymethyl)piperidine?
The InChIKey is XPFBZEZFKAEGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-6-18-12-15(7-8-17(18)5-1)9-11-20-14-16-4-3-10-19-13-16/h1-2,5-8,12,16,19H,3-4,9-11,13-14H2.
What are the key properties of 3-(2-naphthalen-2-ylethoxymethyl)piperidine?
3-(2-naphthalen-2-ylethoxymethyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-2-ylethoxymethyl)piperidine is sourced from PubChem (CID 44784862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).