[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone

C19H25F3N2O2 — CID 119644550

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
SMILESCCNCC1CCN(C(=O)C2CC2c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H25F3N2O2/c1-2-23-12-13-7-9-24(10-8-13)18(25)16-11-15(16)14-5-3-4-6-17(14)26-19(20,21)22/h3-6,13,15-16,23H,2,7-12H2,1H3
InChIKeyKGNNWNRGOLXFFZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.54
Rot. Bonds6

About [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone (PubChem CID 119644550) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
PubChem CID119644550
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
SMILESCCNCC1CCN(C(=O)C2CC2c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C19H25F3N2O2/c1-2-23-12-13-7-9-24(10-8-13)18(25)16-11-15(16)14-5-3-4-6-17(14)26-19(20,21)22/h3-6,13,15-16,23H,2,7-12H2,1H3
InChIKeyKGNNWNRGOLXFFZ-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119621945
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119647354
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 124574239
[(3S)-3-aminopyrrolidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119934176
[(3R)-3-aminopyrrolidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone;hydrochloride
CID 119409603
(3-aminopiperidin-1-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 119377556
N-[2-(ethylaminomethyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119438897
3-[(3S)-1-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 125149881
(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 154742389
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 139018594
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119624499

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone (CID 119644550) is [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone is CCNCC1CCN(C(=O)C2CC2c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
The InChIKey is KGNNWNRGOLXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-2-23-12-13-7-9-24(10-8-13)18(25)16-11-15(16)14-5-3-4-6-17(14)26-19(20,21)22/h3-6,13,15-16,23H,2,7-12H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone has a molecular weight of 370.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 119644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).