1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol

C16H25NO — CID 64984824

IUPAC1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C16H25NO/c1-5-17-8-6-16(18,7-9-17)15-11-13(3)12(2)10-14(15)4/h10-11,18H,5-9H2,1-4H3
InChIKeyVRIBKFYSZGUALA-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.92
Rot. Bonds2

About 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol

1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol (PubChem CID 64984824) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
PubChem CID64984824
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C16H25NO/c1-5-17-8-6-16(18,7-9-17)15-11-13(3)12(2)10-14(15)4/h10-11,18H,5-9H2,1-4H3
InChIKeyVRIBKFYSZGUALA-UHFFFAOYSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol (CID 64984824) is 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol is CCN1CCC(O)(c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol?
The InChIKey is VRIBKFYSZGUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-8-6-16(18,7-9-17)15-11-13(3)12(2)10-14(15)4/h10-11,18H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol?
1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol is sourced from PubChem (CID 64984824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).