(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C15H25F3N2O — CID 114908900

IUPAC(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C15H25F3N2O/c1-14(2)6-3-8-20(9-7-14)13(21)12-5-4-11(10-19-12)15(16,17)18/h11-12,19H,3-10H2,1-2H3
InChIKeyMOMBIBCUYHOQBZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.96
Rot. Bonds1

About (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908900) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908900
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C15H25F3N2O/c1-14(2)6-3-8-20(9-7-14)13(21)12-5-4-11(10-19-12)15(16,17)18/h11-12,19H,3-10H2,1-2H3
InChIKeyMOMBIBCUYHOQBZ-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908900) is (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1(C)CCCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1.
What is the InChIKey of (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is MOMBIBCUYHOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-14(2)6-3-8-20(9-7-14)13(21)12-5-4-11(10-19-12)15(16,17)18/h11-12,19H,3-10H2,1-2H3.
What are the key properties of (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).