(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H26F3N3O — CID 59846088

IUPAC(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCN1CCCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C19H26F3N3O/c1-2-23-8-4-5-15(14-23)18(26)25-11-9-24(10-12-25)17-7-3-6-16(13-17)19(20,21)22/h3,6-7,13,15H,2,4-5,8-12,14H2,1H3
InChIKeyNMNXLPFOVXWEEP-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.09
Rot. Bonds3

About (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 59846088) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID59846088
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCN1CCCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C19H26F3N3O/c1-2-23-8-4-5-15(14-23)18(26)25-11-9-24(10-12-25)17-7-3-6-16(13-17)19(20,21)22/h3,6-7,13,15H,2,4-5,8-12,14H2,1H3
InChIKeyNMNXLPFOVXWEEP-UHFFFAOYSA-N
XLogP3.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 59846088) is (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCN1CCCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is NMNXLPFOVXWEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-2-23-8-4-5-15(14-23)18(26)25-11-9-24(10-12-25)17-7-3-6-16(13-17)19(20,21)22/h3,6-7,13,15H,2,4-5,8-12,14H2,1H3.
What are the key properties of (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 59846088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).