[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone

C18H32F3N3O — CID 174368172

IUPAC[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCCN(CC1CCN(C(=O)N2CCCCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C18H32F3N3O/c1-3-22(15(2)13-18(19,20)21)14-16-7-11-24(12-8-16)17(25)23-9-5-4-6-10-23/h15-16H,3-14H2,1-2H3
InChIKeyYIVAKGABYKXKMQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.97
Rot. Bonds5

About [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone

[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 174368172) has the molecular formula C18H32F3N3O and a molecular weight of 363.47 g/mol. Its IUPAC name is [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone
PubChem CID174368172
Molecular FormulaC18H32F3N3O
Molecular Weight363.47 g/mol
Exact Mass363.25
IUPAC Name[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone
SMILESCCN(CC1CCN(C(=O)N2CCCCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C18H32F3N3O/c1-3-22(15(2)13-18(19,20)21)14-16-7-11-24(12-8-16)17(25)23-9-5-4-6-10-23/h15-16H,3-14H2,1-2H3
InChIKeyYIVAKGABYKXKMQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone (CID 174368172) is [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone is CCN(CC1CCN(C(=O)N2CCCCC2)CC1)C(C)CC(F)(F)F.
What is the InChIKey of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is YIVAKGABYKXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O/c1-3-22(15(2)13-18(19,20)21)14-16-7-11-24(12-8-16)17(25)23-9-5-4-6-10-23/h15-16H,3-14H2,1-2H3.
What are the key properties of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone?
[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 363.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 174368172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).