5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol

C14H19F2NO2 — CID 75631487

IUPAC5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
SMILESCc1ccc(CN2CC(O)C(O)C(C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3
InChIKeyRGGCFNVKTVEOGJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.41
Rot. Bonds3

About 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol

5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol (PubChem CID 75631487) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
PubChem CID75631487
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
SMILESCc1ccc(CN2CC(O)C(O)C(C(F)F)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3
InChIKeyRGGCFNVKTVEOGJ-UHFFFAOYSA-N
XLogP1.41
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The IUPAC name of 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol (CID 75631487) is 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol.
What is the SMILES notation for 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The canonical SMILES for 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol is Cc1ccc(CN2CC(O)C(O)C(C(F)F)C2)cc1.
What is the InChIKey of 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
The InChIKey is RGGCFNVKTVEOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9-2-4-10(5-3-9)6-17-7-11(14(15)16)13(19)12(18)8-17/h2-5,11-14,18-19H,6-8H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol?
5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol has a molecular weight of 271.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol is sourced from PubChem (CID 75631487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).