4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine

C17H25N — CID 114272272

IUPAC4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine
SMILESCC1CC(c2ccc(C3CCC3)cc2)CC(C)N1
InChIInChI=1S/C17H25N/c1-12-10-17(11-13(2)18-12)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,12-14,17-18H,3-5,10-11H2,1-2H3
InChIKeyKMNUUHGEGQPTPH-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.20
Rot. Bonds2

About 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine

4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine (PubChem CID 114272272) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine.

Molecular Properties

Compound Name4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine
PubChem CID114272272
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine
SMILESCC1CC(c2ccc(C3CCC3)cc2)CC(C)N1
InChIInChI=1S/C17H25N/c1-12-10-17(11-13(2)18-12)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,12-14,17-18H,3-5,10-11H2,1-2H3
InChIKeyKMNUUHGEGQPTPH-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine?
The IUPAC name of 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine (CID 114272272) is 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine.
What is the SMILES notation for 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine?
The canonical SMILES for 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine is CC1CC(c2ccc(C3CCC3)cc2)CC(C)N1.
What is the InChIKey of 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine?
The InChIKey is KMNUUHGEGQPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-10-17(11-13(2)18-12)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,12-14,17-18H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine?
4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine has a molecular weight of 243.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine is sourced from PubChem (CID 114272272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).