2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine

C16H25NO — CID 2846207

IUPAC2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine
SMILESCCC1CCCCN1Cc1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-15-7-5-6-10-17(15)12-14-8-9-16(18-3)13(2)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyPMUOMFGRPVAPMX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds4

About 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine

2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine (PubChem CID 2846207) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine
PubChem CID2846207
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine
SMILESCCC1CCCCN1Cc1ccc(OC)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-15-7-5-6-10-17(15)12-14-8-9-16(18-3)13(2)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyPMUOMFGRPVAPMX-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine?
The IUPAC name of 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine (CID 2846207) is 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine?
The canonical SMILES for 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine is CCC1CCCCN1Cc1ccc(OC)c(C)c1.
What is the InChIKey of 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine?
The InChIKey is PMUOMFGRPVAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-15-7-5-6-10-17(15)12-14-8-9-16(18-3)13(2)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3.
What are the key properties of 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine?
2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(4-methoxy-3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 2846207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).