2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one

C12H21F3N2O — CID 54936329

IUPAC2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-2-3-6-10(16)11(18)17-7-4-5-9(8-17)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyBXLRZLCHDUZIIT-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one

2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one (PubChem CID 54936329) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one
PubChem CID54936329
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(N)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-2-3-6-10(16)11(18)17-7-4-5-9(8-17)12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyBXLRZLCHDUZIIT-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one (CID 54936329) is 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one is CCCCC(N)C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is BXLRZLCHDUZIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-6-10(16)11(18)17-7-4-5-9(8-17)12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one?
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 54936329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).