2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol

C13H15ClF3NO — CID 117473840

IUPAC2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(CC2CCCCN2)cc1Cl
InChIInChI=1S/C13H15ClF3NO/c14-11-6-8(5-9-3-1-2-4-18-9)10(7-12(11)19)13(15,16)17/h6-7,9,18-19H,1-5H2
InChIKeyHXBKHZHWOHMEHP-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.75
Rot. Bonds2

About 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol

2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol (PubChem CID 117473840) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
PubChem CID117473840
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(CC2CCCCN2)cc1Cl
InChIInChI=1S/C13H15ClF3NO/c14-11-6-8(5-9-3-1-2-4-18-9)10(7-12(11)19)13(15,16)17/h6-7,9,18-19H,1-5H2
InChIKeyHXBKHZHWOHMEHP-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(piperidin-3-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473845
2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 117445162
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
2-[[2,5-bis(methylsulfanyl)-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 178136976
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117356194
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
CID 117409121
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol (CID 117473840) is 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)c(CC2CCCCN2)cc1Cl.
What is the InChIKey of 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol?
The InChIKey is HXBKHZHWOHMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c14-11-6-8(5-9-3-1-2-4-18-9)10(7-12(11)19)13(15,16)17/h6-7,9,18-19H,1-5H2.
What are the key properties of 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol?
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol has a molecular weight of 293.72 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117473840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).