2-ethyl-5-methyl-4-piperidin-4-ylphenol

C14H21NO — CID 117313060

IUPAC2-ethyl-5-methyl-4-piperidin-4-ylphenol
SMILESCCc1cc(C2CCNCC2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-3-11-9-13(10(2)8-14(11)16)12-4-6-15-7-5-12/h8-9,12,15-16H,3-7H2,1-2H3
InChIKeyMXNXUKOHYNFVPU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds2

About 2-ethyl-5-methyl-4-piperidin-4-ylphenol

2-ethyl-5-methyl-4-piperidin-4-ylphenol (PubChem CID 117313060) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-piperidin-4-ylphenol
PubChem CID117313060
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-5-methyl-4-piperidin-4-ylphenol
SMILESCCc1cc(C2CCNCC2)c(C)cc1O
InChIInChI=1S/C14H21NO/c1-3-11-9-13(10(2)8-14(11)16)12-4-6-15-7-5-12/h8-9,12,15-16H,3-7H2,1-2H3
InChIKeyMXNXUKOHYNFVPU-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359
2-ethyl-5-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117313107
2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
CID 117313036
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580
ethyl formate;2-piperidin-4-ylphenol
CID 174485729

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-piperidin-4-ylphenol?
The IUPAC name of 2-ethyl-5-methyl-4-piperidin-4-ylphenol (CID 117313060) is 2-ethyl-5-methyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-ethyl-5-methyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2-ethyl-5-methyl-4-piperidin-4-ylphenol is CCc1cc(C2CCNCC2)c(C)cc1O.
What is the InChIKey of 2-ethyl-5-methyl-4-piperidin-4-ylphenol?
The InChIKey is MXNXUKOHYNFVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11-9-13(10(2)8-14(11)16)12-4-6-15-7-5-12/h8-9,12,15-16H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-4-piperidin-4-ylphenol?
2-ethyl-5-methyl-4-piperidin-4-ylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 117313060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).