2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid

C19H26F3N3O2 — CID 3068009

IUPAC2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)14-3-1-4-15(13-14)25-11-9-24(10-12-25)8-7-23-17-6-2-5-16(17)18(26)27/h1,3-4,13,16-17,23H,2,5-12H2,(H,26,27)
InChIKeyRUUNBZUOZLMYOB-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid

2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid (PubChem CID 3068009) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid
PubChem CID3068009
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)14-3-1-4-15(13-14)25-11-9-24(10-12-25)8-7-23-17-6-2-5-16(17)18(26)27/h1,3-4,13,16-17,23H,2,5-12H2,(H,26,27)
InChIKeyRUUNBZUOZLMYOB-UHFFFAOYSA-N
XLogP2.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid (CID 3068009) is 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RUUNBZUOZLMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c20-19(21,22)14-3-1-4-15(13-14)25-11-9-24(10-12-25)8-7-23-17-6-2-5-16(17)18(26)27/h1,3-4,13,16-17,23H,2,5-12H2,(H,26,27).
What are the key properties of 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid?
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid has a molecular weight of 385.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 3068009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).