N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C13H21F3N2O — CID 10683989

IUPACN-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)12(19)17-10-6-8-18(9-7-10)11-4-2-1-3-5-11/h10-11H,1-9H2,(H,17,19)
InChIKeyXNZBKJONGLFHPC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.46
Rot. Bonds2

About N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 10683989) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID10683989
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCN(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)12(19)17-10-6-8-18(9-7-10)11-4-2-1-3-5-11/h10-11H,1-9H2,(H,17,19)
InChIKeyXNZBKJONGLFHPC-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 10683989) is N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCN(C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is XNZBKJONGLFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)12(19)17-10-6-8-18(9-7-10)11-4-2-1-3-5-11/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 278.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10683989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).