(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

C14H23F3N2O — CID 114908807

IUPAC(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1C
InChIInChI=1S/C14H23F3N2O/c1-9-4-3-7-19(10(9)2)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3
InChIKeyNGMYDHRVVIQFBZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.56
Rot. Bonds1

About (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone

(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908807) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908807
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCC1CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1C
InChIInChI=1S/C14H23F3N2O/c1-9-4-3-7-19(10(9)2)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3
InChIKeyNGMYDHRVVIQFBZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908901
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572
(2,5-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908906
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908583
2-azabicyclo[2.2.1]heptan-2-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908734
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908938
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 107392801
N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908963
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038145
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908807) is (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CC1CCCN(C(=O)C2CCC(C(F)(F)F)CN2)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is NGMYDHRVVIQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9-4-3-7-19(10(9)2)13(20)12-6-5-11(8-18-12)14(15,16)17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).