4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine

C15H22ClN — CID 129166728

IUPAC4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine
SMILESCCC1(c2ccc(Cl)cc2)CCNCC1(C)C
InChIInChI=1S/C15H22ClN/c1-4-15(9-10-17-11-14(15,2)3)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyVUFYQJONIBEGGI-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds2

About 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine

4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine (PubChem CID 129166728) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine
PubChem CID129166728
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine
SMILESCCC1(c2ccc(Cl)cc2)CCNCC1(C)C
InChIInChI=1S/C15H22ClN/c1-4-15(9-10-17-11-14(15,2)3)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyVUFYQJONIBEGGI-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine?
The IUPAC name of 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine (CID 129166728) is 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine.
What is the SMILES notation for 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine?
The canonical SMILES for 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine is CCC1(c2ccc(Cl)cc2)CCNCC1(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine?
The InChIKey is VUFYQJONIBEGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-4-15(9-10-17-11-14(15,2)3)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine?
4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-ethyl-3,3-dimethylpiperidine is sourced from PubChem (CID 129166728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).