2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol

C16H23F2NO — CID 117455589

IUPAC2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(CC2CCCCN2)c(O)c(C(F)F)c1
InChIInChI=1S/C16H23F2NO/c1-10(2)11-7-12(8-13-5-3-4-6-19-13)15(20)14(9-11)16(17)18/h7,9-10,13,16,19-20H,3-6,8H2,1-2H3
InChIKeyJJYZFMRXVRRBMH-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.14
Rot. Bonds4

About 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol

2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol (PubChem CID 117455589) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
PubChem CID117455589
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(CC2CCCCN2)c(O)c(C(F)F)c1
InChIInChI=1S/C16H23F2NO/c1-10(2)11-7-12(8-13-5-3-4-6-19-13)15(20)14(9-11)16(17)18/h7,9-10,13,16,19-20H,3-6,8H2,1-2H3
InChIKeyJJYZFMRXVRRBMH-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
2-(difluoromethyl)-4-(piperidin-2-ylmethyl)phenol
CID 117355163
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
4-bromo-2-ethyl-6-(piperidin-2-ylmethyl)phenol
CID 117480393
2-[[5-(difluoromethyl)-2,3-difluorophenyl]methyl]pyrrolidine
CID 117369679
3-fluoro-6-methyl-4-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117323559

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol?
The IUPAC name of 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol (CID 117455589) is 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol is CC(C)c1cc(CC2CCCCN2)c(O)c(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol?
The InChIKey is JJYZFMRXVRRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-10(2)11-7-12(8-13-5-3-4-6-19-13)15(20)14(9-11)16(17)18/h7,9-10,13,16,19-20H,3-6,8H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol?
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol has a molecular weight of 283.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol is sourced from PubChem (CID 117455589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).