4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol

C16H25NO — CID 550729

IUPAC4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol
SMILESCc1ccc(C)c(C2(O)CC(C)N(C)CC2C)c1
InChIInChI=1S/C16H25NO/c1-11-6-7-12(2)15(8-11)16(18)9-14(4)17(5)10-13(16)3/h6-8,13-14,18H,9-10H2,1-5H3
InChIKeySPCLRIAZWZKWNU-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.85
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol

4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol (PubChem CID 550729) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol
PubChem CID550729
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol
SMILESCc1ccc(C)c(C2(O)CC(C)N(C)CC2C)c1
InChIInChI=1S/C16H25NO/c1-11-6-7-12(2)15(8-11)16(18)9-14(4)17(5)10-13(16)3/h6-8,13-14,18H,9-10H2,1-5H3
InChIKeySPCLRIAZWZKWNU-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol?
The IUPAC name of 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol (CID 550729) is 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol is Cc1ccc(C)c(C2(O)CC(C)N(C)CC2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol?
The InChIKey is SPCLRIAZWZKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-12(2)15(8-11)16(18)9-14(4)17(5)10-13(16)3/h6-8,13-14,18H,9-10H2,1-5H3.
What are the key properties of 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol?
4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-1,2,5-trimethylpiperidin-4-ol is sourced from PubChem (CID 550729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).