[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

C15H19F3N2O — CID 80550856

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-2-19-9-10-3-5-20(6-4-10)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10,19H,2-6,9H2,1H3
InChIKeyUMPVYALEOKVCEJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.57
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 80550856) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID80550856
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H19F3N2O/c1-2-19-9-10-3-5-20(6-4-10)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10,19H,2-6,9H2,1H3
InChIKeyUMPVYALEOKVCEJ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
[4-(ethylaminomethyl)piperidin-1-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119647539
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
[4-(4-chlorophenoxy)-3-fluorophenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647363
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645123
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
(3-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551547

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (CID 80550856) is [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is CCNCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is UMPVYALEOKVCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-19-9-10-3-5-20(6-4-10)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10,19H,2-6,9H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 300.32 g/mol, XLogP of 2.57, 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]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 80550856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).