4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol

C13H18ClNO — CID 117352288

IUPAC4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
SMILESCc1cc(Cl)c(C2CCCCN2)c(C)c1O
InChIInChI=1S/C13H18ClNO/c1-8-7-10(14)12(9(2)13(8)16)11-5-3-4-6-15-11/h7,11,15-16H,3-6H2,1-2H3
InChIKeyWUWCHUQSJXBUQN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.48
Rot. Bonds1

About 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol

4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol (PubChem CID 117352288) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
PubChem CID117352288
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
SMILESCc1cc(Cl)c(C2CCCCN2)c(C)c1O
InChIInChI=1S/C13H18ClNO/c1-8-7-10(14)12(9(2)13(8)16)11-5-3-4-6-15-11/h7,11,15-16H,3-6H2,1-2H3
InChIKeyWUWCHUQSJXBUQN-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
2-(3-chloro-5-fluoro-2,6-dimethylphenyl)piperidine
CID 84801356
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511
2-methoxy-3,6-dimethyl-4-piperidin-2-ylphenol
CID 84698765
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol?
The IUPAC name of 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol (CID 117352288) is 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol.
What is the SMILES notation for 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol?
The canonical SMILES for 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol is Cc1cc(Cl)c(C2CCCCN2)c(C)c1O.
What is the InChIKey of 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol?
The InChIKey is WUWCHUQSJXBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-7-10(14)12(9(2)13(8)16)11-5-3-4-6-15-11/h7,11,15-16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol?
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol is sourced from PubChem (CID 117352288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).