1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine

C19H25F3N2O2 — CID 89134490

IUPAC1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine
SMILESC=C(COc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-15(23-10-12-24(13-11-23)16-4-2-3-5-16)14-25-17-6-8-18(9-7-17)26-19(20,21)22/h6-9,16H,1-5,10-14H2
InChIKeyBPYFUVSKVUUAFV-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.04
Rot. Bonds6

About 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine

1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine (PubChem CID 89134490) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine
PubChem CID89134490
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine
SMILESC=C(COc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H25F3N2O2/c1-15(23-10-12-24(13-11-23)16-4-2-3-5-16)14-25-17-6-8-18(9-7-17)26-19(20,21)22/h6-9,16H,1-5,10-14H2
InChIKeyBPYFUVSKVUUAFV-UHFFFAOYSA-N
XLogP4.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
1-(4-cyclopentylpiperazin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 18456279
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067
tert-butyl 4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 23081198
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
CID 139832833
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 136579670
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 131909615
2-(4-chlorophenoxy)-1-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 55862457

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine (CID 89134490) is 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine is C=C(COc1ccc(OC(F)(F)F)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine?
The InChIKey is BPYFUVSKVUUAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-15(23-10-12-24(13-11-23)16-4-2-3-5-16)14-25-17-6-8-18(9-7-17)26-19(20,21)22/h6-9,16H,1-5,10-14H2.
What are the key properties of 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine?
1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine has a molecular weight of 370.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine is sourced from PubChem (CID 89134490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).