5-(4-ethylphenyl)-3,3-dimethylpiperidine

C15H23N — CID 82285256

IUPAC5-(4-ethylphenyl)-3,3-dimethylpiperidine
SMILESCCc1ccc(C2CNCC(C)(C)C2)cc1
InChIInChI=1S/C15H23N/c1-4-12-5-7-13(8-6-12)14-9-15(2,3)11-16-10-14/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyDDOTVNIEEROAFU-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.35
Rot. Bonds2

About 5-(4-ethylphenyl)-3,3-dimethylpiperidine

5-(4-ethylphenyl)-3,3-dimethylpiperidine (PubChem CID 82285256) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3,3-dimethylpiperidine
PubChem CID82285256
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-(4-ethylphenyl)-3,3-dimethylpiperidine
SMILESCCc1ccc(C2CNCC(C)(C)C2)cc1
InChIInChI=1S/C15H23N/c1-4-12-5-7-13(8-6-12)14-9-15(2,3)11-16-10-14/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyDDOTVNIEEROAFU-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3,3-dimethylpiperidine?
The IUPAC name of 5-(4-ethylphenyl)-3,3-dimethylpiperidine (CID 82285256) is 5-(4-ethylphenyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 5-(4-ethylphenyl)-3,3-dimethylpiperidine?
The canonical SMILES for 5-(4-ethylphenyl)-3,3-dimethylpiperidine is CCc1ccc(C2CNCC(C)(C)C2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3,3-dimethylpiperidine?
The InChIKey is DDOTVNIEEROAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-12-5-7-13(8-6-12)14-9-15(2,3)11-16-10-14/h5-8,14,16H,4,9-11H2,1-3H3.
What are the key properties of 5-(4-ethylphenyl)-3,3-dimethylpiperidine?
5-(4-ethylphenyl)-3,3-dimethylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 82285256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).