3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol

C17H27NO — CID 114510443

IUPAC3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO/c1-5-15-11-18-7-6-17(15,19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,18-19H,5-7,10-11H2,1-4H3
InChIKeyKYGPELAXSVLZHW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.90
Rot. Bonds3

About 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol

3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol (PubChem CID 114510443) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
PubChem CID114510443
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
SMILESCCC1CNCCC1(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO/c1-5-15-11-18-7-6-17(15,19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,18-19H,5-7,10-11H2,1-4H3
InChIKeyKYGPELAXSVLZHW-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol (CID 114510443) is 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol is CCC1CNCCC1(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The InChIKey is KYGPELAXSVLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-15-11-18-7-6-17(15,19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,18-19H,5-7,10-11H2,1-4H3.
What are the key properties of 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 114510443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).