2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C14H23F3N2O — CID 107147920

IUPAC2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC1CCCNC1CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10-3-2-6-18-12(10)9-13(20)19-7-4-11(5-8-19)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyDUZRNQBFVUIJRU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds2

About 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 107147920) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID107147920
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC1CCCNC1CC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10-3-2-6-18-12(10)9-13(20)19-7-4-11(5-8-19)14(15,16)17/h10-12,18H,2-9H2,1H3
InChIKeyDUZRNQBFVUIJRU-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(3-methylpiperidin-2-yl)acetyl]piperidin-4-yl]acetamide
CID 107148029
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(3-methylpiperidin-2-yl)ethanone
CID 107147574
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
CID 107148097
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-2-yl)ethanone
CID 107147481
2-[2-(3-methylpiperidin-2-yl)acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107147999
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
3-sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 107031440
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 107147920) is 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is CC1CCCNC1CC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is DUZRNQBFVUIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-10-3-2-6-18-12(10)9-13(20)19-7-4-11(5-8-19)14(15,16)17/h10-12,18H,2-9H2,1H3.
What are the key properties of 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-2-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 107147920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).