4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol

C12H14ClF2NO — CID 117409121

IUPAC4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
SMILESOc1c(F)cc(Cl)c(F)c1CC1CCCCN1
InChIInChI=1S/C12H14ClF2NO/c13-9-6-10(14)12(17)8(11(9)15)5-7-3-1-2-4-16-7/h6-7,16-17H,1-5H2
InChIKeyKFLXPMDLNGSRKX-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.01
Rot. Bonds2

About 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol

4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol (PubChem CID 117409121) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
PubChem CID117409121
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
SMILESOc1c(F)cc(Cl)c(F)c1CC1CCCCN1
InChIInChI=1S/C12H14ClF2NO/c13-9-6-10(14)12(17)8(11(9)15)5-7-3-1-2-4-16-7/h6-7,16-17H,1-5H2
InChIKeyKFLXPMDLNGSRKX-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]pyrrolidine
CID 117432063
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
8-fluoro-6-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117421556
3-fluoro-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117301523
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-chloro-6-fluoro-3-methyl-5-(pyrrolidin-2-ylmethyl)phenol
CID 117361291
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol?
The IUPAC name of 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol (CID 117409121) is 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol?
The canonical SMILES for 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol is Oc1c(F)cc(Cl)c(F)c1CC1CCCCN1.
What is the InChIKey of 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol?
The InChIKey is KFLXPMDLNGSRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c13-9-6-10(14)12(17)8(11(9)15)5-7-3-1-2-4-16-7/h6-7,16-17H,1-5H2.
What are the key properties of 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol?
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol has a molecular weight of 261.70 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol is sourced from PubChem (CID 117409121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).