2-methyl-4-piperidin-3-ylphenol

C12H17NO — CID 84663479

IUPAC2-methyl-4-piperidin-3-ylphenol
SMILESCc1cc(C2CCCNC2)ccc1O
InChIInChI=1S/C12H17NO/c1-9-7-10(4-5-12(9)14)11-3-2-6-13-8-11/h4-5,7,11,13-14H,2-3,6,8H2,1H3
InChIKeyBZOOPTHXZGAXPM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.17
Rot. Bonds1

About 2-methyl-4-piperidin-3-ylphenol

2-methyl-4-piperidin-3-ylphenol (PubChem CID 84663479) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-4-piperidin-3-ylphenol.

Molecular Properties

Compound Name2-methyl-4-piperidin-3-ylphenol
PubChem CID84663479
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-4-piperidin-3-ylphenol
SMILESCc1cc(C2CCCNC2)ccc1O
InChIInChI=1S/C12H17NO/c1-9-7-10(4-5-12(9)14)11-3-2-6-13-8-11/h4-5,7,11,13-14H,2-3,6,8H2,1H3
InChIKeyBZOOPTHXZGAXPM-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-3-ylbenzene-1,2-diol;hydrobromide
CID 3046209
4-cyclodecyl-2-methylphenol
CID 153407623
2-fluoro-4-piperidin-3-ylphenol
CID 82606236
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
2-hydroxy-5-piperidin-3-ylbenzonitrile
CID 84776785
4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
CID 144772724
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-3-ylphenol?
The IUPAC name of 2-methyl-4-piperidin-3-ylphenol (CID 84663479) is 2-methyl-4-piperidin-3-ylphenol.
What is the SMILES notation for 2-methyl-4-piperidin-3-ylphenol?
The canonical SMILES for 2-methyl-4-piperidin-3-ylphenol is Cc1cc(C2CCCNC2)ccc1O.
What is the InChIKey of 2-methyl-4-piperidin-3-ylphenol?
The InChIKey is BZOOPTHXZGAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-10(4-5-12(9)14)11-3-2-6-13-8-11/h4-5,7,11,13-14H,2-3,6,8H2,1H3.
What are the key properties of 2-methyl-4-piperidin-3-ylphenol?
2-methyl-4-piperidin-3-ylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-3-ylphenol is sourced from PubChem (CID 84663479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).