3-chloro-2-methyl-5-piperidin-2-ylphenol

C12H16ClNO — CID 84790686

IUPAC3-chloro-2-methyl-5-piperidin-2-ylphenol
SMILESCc1c(O)cc(C2CCCCN2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-10(13)6-9(7-12(8)15)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3
InChIKeyBAIZIJFIHWCIKH-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.17
Rot. Bonds1

About 3-chloro-2-methyl-5-piperidin-2-ylphenol

3-chloro-2-methyl-5-piperidin-2-ylphenol (PubChem CID 84790686) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-piperidin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-2-methyl-5-piperidin-2-ylphenol
PubChem CID84790686
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-2-methyl-5-piperidin-2-ylphenol
SMILESCc1c(O)cc(C2CCCCN2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-10(13)6-9(7-12(8)15)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3
InChIKeyBAIZIJFIHWCIKH-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-(3-chloro-5-methylphenyl)piperidine
CID 84781097
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
2-methylsulfonyl-5-piperidin-2-ylphenol
CID 117391593
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-piperidin-2-ylphenol?
The IUPAC name of 3-chloro-2-methyl-5-piperidin-2-ylphenol (CID 84790686) is 3-chloro-2-methyl-5-piperidin-2-ylphenol.
What is the SMILES notation for 3-chloro-2-methyl-5-piperidin-2-ylphenol?
The canonical SMILES for 3-chloro-2-methyl-5-piperidin-2-ylphenol is Cc1c(O)cc(C2CCCCN2)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-piperidin-2-ylphenol?
The InChIKey is BAIZIJFIHWCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-10(13)6-9(7-12(8)15)11-4-2-3-5-14-11/h6-7,11,14-15H,2-5H2,1H3.
What are the key properties of 3-chloro-2-methyl-5-piperidin-2-ylphenol?
3-chloro-2-methyl-5-piperidin-2-ylphenol has a molecular weight of 225.72 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-piperidin-2-ylphenol is sourced from PubChem (CID 84790686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).