(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H21F3N2O — CID 63131212

IUPAC(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCNC1
InChIInChI=1S/C13H21F3N2O/c1-12(5-3-6-17-9-12)11(19)18-7-2-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3
InChIKeyVPXBPVCLKCJIOC-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds1

About (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 63131212) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID63131212
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCNC1
InChIInChI=1S/C13H21F3N2O/c1-12(5-3-6-17-9-12)11(19)18-7-2-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3
InChIKeyVPXBPVCLKCJIOC-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[1-(3-methylpiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83199276
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501
(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 106974507
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 64598501
(4-cyclopropylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63131559
(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 115747498
(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 178183828
(4-cyclopentylpiperazin-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63133084

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 63131212) is (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCNC1.
What is the InChIKey of (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VPXBPVCLKCJIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-12(5-3-6-17-9-12)11(19)18-7-2-4-10(8-18)13(14,15)16/h10,17H,2-9H2,1H3.
What are the key properties of (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 278.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63131212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).