4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol

C13H18ClNO — CID 84800158

IUPAC4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
SMILESCc1cc(O)c(C2CCNCC2)c(C)c1Cl
InChIInChI=1S/C13H18ClNO/c1-8-7-11(16)12(9(2)13(8)14)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyDXEZVXAZQYPOGM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.13
Rot. Bonds1

About 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol

4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol (PubChem CID 84800158) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
PubChem CID84800158
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
SMILESCc1cc(O)c(C2CCNCC2)c(C)c1Cl
InChIInChI=1S/C13H18ClNO/c1-8-7-11(16)12(9(2)13(8)14)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyDXEZVXAZQYPOGM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
CID 84701640
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
CID 117366624
3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol?
The IUPAC name of 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol (CID 84800158) is 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol.
What is the SMILES notation for 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol?
The canonical SMILES for 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol is Cc1cc(O)c(C2CCNCC2)c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol?
The InChIKey is DXEZVXAZQYPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-7-11(16)12(9(2)13(8)14)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol?
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol has a molecular weight of 239.75 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol is sourced from PubChem (CID 84800158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).