[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C15H25F3N2O — CID 115441663

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11-4-6-14(10-19,7-5-11)13(21)20-8-2-3-12(9-20)15(16,17)18/h11-12H,2-10,19H2,1H3
InChIKeyOIPZSOKONAUZIR-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds2

About [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 115441663) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID115441663
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H25F3N2O/c1-11-4-6-14(10-19,7-5-11)13(21)20-8-2-3-12(9-20)15(16,17)18/h11-12H,2-10,19H2,1H3
InChIKeyOIPZSOKONAUZIR-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
CID 102957592
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 113310414
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
(3-ethylpyrrolidin-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63140126
(4-amino-1-bicyclo[2.2.1]heptanyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 178183828
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
2-(1-aminocyclopentyl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 64684265
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 115441663) is [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC1CCC(CN)(C(=O)N2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OIPZSOKONAUZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11-4-6-14(10-19,7-5-11)13(21)20-8-2-3-12(9-20)15(16,17)18/h11-12H,2-10,19H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 115441663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).