[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

C20H22F2N2O2 — CID 68704453

IUPAC[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C20H22F2N2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)22)14-4-6-17(21)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26)
InChIKeyZZVWIAGTYVYUGW-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.21
Rot. Bonds4

About [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid

[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 68704453) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID68704453
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C20H22F2N2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)22)14-4-6-17(21)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26)
InChIKeyZZVWIAGTYVYUGW-UHFFFAOYSA-N
XLogP4.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid (CID 68704453) is [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2F)CC1.
What is the InChIKey of [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is ZZVWIAGTYVYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-23(20(25)26)18-8-10-24(11-9-18)13-16-3-2-15(12-19(16)22)14-4-6-17(21)7-5-14/h2-7,12,18H,8-11,13H2,1H3,(H,25,26).
What are the key properties of [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid?
[1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 360.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-fluoro-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 68704453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).