2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol

C18H29NO — CID 117441120

IUPAC2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCCc1cc(CC2CCCCN2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-5-13-10-14(12-15-8-6-7-9-19-15)17(20)16(11-13)18(2,3)4/h10-11,15,19-20H,5-9,12H2,1-4H3
InChIKeyODLMGRSHTYITGV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds3

About 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol

2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol (PubChem CID 117441120) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
PubChem CID117441120
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol
SMILESCCc1cc(CC2CCCCN2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-5-13-10-14(12-15-8-6-7-9-19-15)17(20)16(11-13)18(2,3)4/h10-11,15,19-20H,5-9,12H2,1-4H3
InChIKeyODLMGRSHTYITGV-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117480393
5-tert-butyl-3-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117377108
3,4-dimethyl-5-(piperidin-2-ylmethyl)benzene-1,2-diol
CID 117342837
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
4-tert-butyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 115033595
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol (CID 117441120) is 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol is CCc1cc(CC2CCCCN2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol?
The InChIKey is ODLMGRSHTYITGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-13-10-14(12-15-8-6-7-9-19-15)17(20)16(11-13)18(2,3)4/h10-11,15,19-20H,5-9,12H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol?
2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol has a molecular weight of 275.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-6-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117441120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).