2-chloro-6-methyl-4-piperidin-3-ylphenol

C12H16ClNO — CID 84690213

IUPAC2-chloro-6-methyl-4-piperidin-3-ylphenol
SMILESCc1cc(C2CCCNC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-8-5-10(6-11(13)12(8)15)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3
InChIKeyFZKLTFREAMLCAU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.82
Rot. Bonds1

About 2-chloro-6-methyl-4-piperidin-3-ylphenol

2-chloro-6-methyl-4-piperidin-3-ylphenol (PubChem CID 84690213) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-piperidin-3-ylphenol.

Molecular Properties

Compound Name2-chloro-6-methyl-4-piperidin-3-ylphenol
PubChem CID84690213
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-6-methyl-4-piperidin-3-ylphenol
SMILESCc1cc(C2CCCNC2)cc(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-8-5-10(6-11(13)12(8)15)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3
InChIKeyFZKLTFREAMLCAU-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-piperidin-3-ylphenol
CID 84663479
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
3-chloro-4-piperidin-3-ylphenol
CID 82612870
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
4-chloro-3-piperidin-3-ylphenol
CID 84678781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-piperidin-3-ylphenol?
The IUPAC name of 2-chloro-6-methyl-4-piperidin-3-ylphenol (CID 84690213) is 2-chloro-6-methyl-4-piperidin-3-ylphenol.
What is the SMILES notation for 2-chloro-6-methyl-4-piperidin-3-ylphenol?
The canonical SMILES for 2-chloro-6-methyl-4-piperidin-3-ylphenol is Cc1cc(C2CCCNC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methyl-4-piperidin-3-ylphenol?
The InChIKey is FZKLTFREAMLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-5-10(6-11(13)12(8)15)9-3-2-4-14-7-9/h5-6,9,14-15H,2-4,7H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-piperidin-3-ylphenol?
2-chloro-6-methyl-4-piperidin-3-ylphenol has a molecular weight of 225.72 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-piperidin-3-ylphenol is sourced from PubChem (CID 84690213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).