[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

C15H26F4N2O2 — CID 175577986

IUPAC[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(F)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C15H26F4N2O2/c1-13(2,16)9-21-8-10(5-6-11(21)15(17,18)19)7-14(3,4)20-12(22)23/h10-11,20H,5-9H2,1-4H3,(H,22,23)
InChIKeyTYVFRMAAJWKBHZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.81
Rot. Bonds5

About [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175577986) has the molecular formula C15H26F4N2O2 and a molecular weight of 342.38 g/mol. Its IUPAC name is [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175577986
Molecular FormulaC15H26F4N2O2
Molecular Weight342.38 g/mol
Exact Mass342.19
IUPAC Name[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(F)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F
InChIInChI=1S/C15H26F4N2O2/c1-13(2,16)9-21-8-10(5-6-11(21)15(17,18)19)7-14(3,4)20-12(22)23/h10-11,20H,5-9H2,1-4H3,(H,22,23)
InChIKeyTYVFRMAAJWKBHZ-UHFFFAOYSA-N
XLogP3.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (CID 175577986) is [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is CC(C)(F)CN1CC(CC(C)(C)NC(=O)O)CCC1C(F)(F)F.
What is the InChIKey of [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is TYVFRMAAJWKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F4N2O2/c1-13(2,16)9-21-8-10(5-6-11(21)15(17,18)19)7-14(3,4)20-12(22)23/h10-11,20H,5-9H2,1-4H3,(H,22,23).
What are the key properties of [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 342.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175577986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).