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

C13H18ClNO — CID 84701640

IUPAC2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
SMILESCc1cc(O)c(Cl)c(C)c1C1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-8-7-11(16)13(14)9(2)12(8)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyLAODPBVYWMQTIV-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.13
Rot. Bonds1

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

2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol (PubChem CID 84701640) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
PubChem CID84701640
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol
SMILESCc1cc(O)c(Cl)c(C)c1C1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-8-7-11(16)13(14)9(2)12(8)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3
InChIKeyLAODPBVYWMQTIV-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

4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971
2-chloro-3-methyl-5-(piperidin-4-ylmethyl)phenol
CID 84800082
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
4-fluoro-3-methyl-2-piperidin-4-ylphenol
CID 84676985
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol?
The IUPAC name of 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol (CID 84701640) is 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol is Cc1cc(O)c(Cl)c(C)c1C1CCNCC1.
What is the InChIKey of 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol?
The InChIKey is LAODPBVYWMQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-7-11(16)13(14)9(2)12(8)10-3-5-15-6-4-10/h7,10,15-16H,3-6H2,1-2H3.
What are the key properties of 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol?
2-chloro-3,5-dimethyl-4-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 2-chloro-3,5-dimethyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 84701640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).