1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine

C18H29NO — CID 2934051

IUPAC1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
SMILESCCc1ccccc1OCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H29NO/c1-4-17-8-5-6-9-18(17)20-11-7-10-19-13-15(2)12-16(3)14-19/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3
InChIKeyFXIYMLSHBZTYLT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine

1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine (PubChem CID 2934051) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
PubChem CID2934051
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
SMILESCCc1ccccc1OCCCN1CC(C)CC(C)C1
InChIInChI=1S/C18H29NO/c1-4-17-8-5-6-9-18(17)20-11-7-10-19-13-15(2)12-16(3)14-19/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3
InChIKeyFXIYMLSHBZTYLT-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpiperidin-1-yl)propoxy]aniline
CID 43174256
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
(3R,5S)-1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine
CID 2300152
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809274
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
3,5-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
2-[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethoxy]benzaldehyde;hydrochloride
CID 2993790
(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine (CID 2934051) is 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine is CCc1ccccc1OCCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine?
The InChIKey is FXIYMLSHBZTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17-8-5-6-9-18(17)20-11-7-10-19-13-15(2)12-16(3)14-19/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3.
What are the key properties of 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine?
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 2934051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).