3-[4-(1-methoxyethyl)phenyl]piperidine

C14H21NO — CID 117313118

IUPAC3-[4-(1-methoxyethyl)phenyl]piperidine
SMILESCOC(C)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-11(16-2)12-5-7-13(8-6-12)14-4-3-9-15-10-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyWWGKUOJZURMYSG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds3

About 3-[4-(1-methoxyethyl)phenyl]piperidine

3-[4-(1-methoxyethyl)phenyl]piperidine (PubChem CID 117313118) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[4-(1-methoxyethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(1-methoxyethyl)phenyl]piperidine
PubChem CID117313118
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[4-(1-methoxyethyl)phenyl]piperidine
SMILESCOC(C)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H21NO/c1-11(16-2)12-5-7-13(8-6-12)14-4-3-9-15-10-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyWWGKUOJZURMYSG-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-propan-2-ylphenyl)piperidine
CID 58015975
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
3-[4-(2-methoxypropyl)phenyl]piperidine
CID 117339182
3-(4-methoxyphenyl)piperidine
CID 12937920
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
3-[4-(difluoromethoxy)phenyl]piperidine
CID 117326655
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxyethyl)phenyl]piperidine?
The IUPAC name of 3-[4-(1-methoxyethyl)phenyl]piperidine (CID 117313118) is 3-[4-(1-methoxyethyl)phenyl]piperidine.
What is the SMILES notation for 3-[4-(1-methoxyethyl)phenyl]piperidine?
The canonical SMILES for 3-[4-(1-methoxyethyl)phenyl]piperidine is COC(C)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of 3-[4-(1-methoxyethyl)phenyl]piperidine?
The InChIKey is WWGKUOJZURMYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16-2)12-5-7-13(8-6-12)14-4-3-9-15-10-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[4-(1-methoxyethyl)phenyl]piperidine?
3-[4-(1-methoxyethyl)phenyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxyethyl)phenyl]piperidine is sourced from PubChem (CID 117313118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).