4-ethyl-4-methyl-3-(3-methylphenyl)piperidine

C15H23N — CID 79442417

IUPAC4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
SMILESCCC1(C)CCNCC1c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-15(3)8-9-16-11-14(15)13-7-5-6-12(2)10-13/h5-7,10,14,16H,4,8-9,11H2,1-3H3
InChIKeyZPJGOCBPYCMDOJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds2

About 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine

4-ethyl-4-methyl-3-(3-methylphenyl)piperidine (PubChem CID 79442417) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
PubChem CID79442417
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
SMILESCCC1(C)CCNCC1c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-15(3)8-9-16-11-14(15)13-7-5-6-12(2)10-13/h5-7,10,14,16H,4,8-9,11H2,1-3H3
InChIKeyZPJGOCBPYCMDOJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine?
The IUPAC name of 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine (CID 79442417) is 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine.
What is the SMILES notation for 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine?
The canonical SMILES for 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine is CCC1(C)CCNCC1c1cccc(C)c1.
What is the InChIKey of 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine?
The InChIKey is ZPJGOCBPYCMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(3)8-9-16-11-14(15)13-7-5-6-12(2)10-13/h5-7,10,14,16H,4,8-9,11H2,1-3H3.
What are the key properties of 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine?
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-3-(3-methylphenyl)piperidine is sourced from PubChem (CID 79442417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).