[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C16H27F3N2O — CID 119647074

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCCNCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O/c1-2-20-11-12-7-9-21(10-8-12)15(22)13-5-3-4-6-14(13)16(17,18)19/h12-14,20H,2-11H2,1H3
InChIKeyHPUQEJHOEVTCMC-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.20
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 119647074) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID119647074
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCCNCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1
InChIInChI=1S/C16H27F3N2O/c1-2-20-11-12-7-9-21(10-8-12)15(22)13-5-3-4-6-14(13)16(17,18)19/h12-14,20H,2-11H2,1H3
InChIKeyHPUQEJHOEVTCMC-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 97323784
[3-(2-bromoethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114801501
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
2-bicyclo[2.2.1]hept-5-enyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551690
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 119647074) is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is CCNCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HPUQEJHOEVTCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O/c1-2-20-11-12-7-9-21(10-8-12)15(22)13-5-3-4-6-14(13)16(17,18)19/h12-14,20H,2-11H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 320.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 119647074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).