4-[(4-ethoxyphenyl)methyl]piperidine

C14H21NO — CID 4778265

IUPAC4-[(4-ethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyOTAIYQSYOVJZHO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds4

About 4-[(4-ethoxyphenyl)methyl]piperidine

4-[(4-ethoxyphenyl)methyl]piperidine (PubChem CID 4778265) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)methyl]piperidine
PubChem CID4778265
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(4-ethoxyphenyl)methyl]piperidine
SMILESCCOc1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-6,13,15H,2,7-11H2,1H3
InChIKeyOTAIYQSYOVJZHO-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(4-ethoxyphenyl)methyl]piperidine (CID 4778265) is 4-[(4-ethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(4-ethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(4-ethoxyphenyl)methyl]piperidine is CCOc1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)methyl]piperidine?
The InChIKey is OTAIYQSYOVJZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-6,13,15H,2,7-11H2,1H3.
What are the key properties of 4-[(4-ethoxyphenyl)methyl]piperidine?
4-[(4-ethoxyphenyl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 4778265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).