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

C18H26F3N3 — CID 45217580

IUPAC1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H26F3N3/c1-2-22-8-4-7-17(14-22)24-11-9-23(10-12-24)16-6-3-5-15(13-16)18(19,20)21/h3,5-6,13,17H,2,4,7-12,14H2,1H3
InChIKeyQYBLDNOQHXMDSP-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.31
Rot. Bonds3

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

1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 45217580) has the molecular formula C18H26F3N3 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID45217580
Molecular FormulaC18H26F3N3
Molecular Weight341.42 g/mol
Exact Mass341.21
IUPAC Name1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C18H26F3N3/c1-2-22-8-4-7-17(14-22)24-11-9-23(10-12-24)16-6-3-5-15(13-16)18(19,20)21/h3,5-6,13,17H,2,4,7-12,14H2,1H3
InChIKeyQYBLDNOQHXMDSP-UHFFFAOYSA-N
XLogP3.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29255553
N,N-dimethyl-2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 95726698
methyl 2-[(3S)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
CID 95727046
N-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetamide
CID 56913982
1-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45213688
methyl 2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate;dihydrochloride
CID 154893068
1-(1-cyclohexylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 56718695
2-methoxy-6-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 29025709
4-methoxy-2-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 51636167
1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45171055
1-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45248484
2-hydroxy-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 56903793

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 45217580) is 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is CCN1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QYBLDNOQHXMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3/c1-2-22-8-4-7-17(14-22)24-11-9-23(10-12-24)16-6-3-5-15(13-16)18(19,20)21/h3,5-6,13,17H,2,4,7-12,14H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 341.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 45217580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).