1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile

C14H23F3N4 — CID 79575760

IUPAC1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c15-14(16,17)11-21-8-6-20(7-9-21)5-3-12-2-1-4-13(12,19)10-18/h12H,1-9,11,19H2
InChIKeyAKOZEAVKMBLUFR-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.58
Rot. Bonds4

About 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79575760) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile
PubChem CID79575760
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4/c15-14(16,17)11-21-8-6-20(7-9-21)5-3-12-2-1-4-13(12,19)10-18/h12H,1-9,11,19H2
InChIKeyAKOZEAVKMBLUFR-UHFFFAOYSA-N
XLogP1.58
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile (CID 79575760) is 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is AKOZEAVKMBLUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c15-14(16,17)11-21-8-6-20(7-9-21)5-3-12-2-1-4-13(12,19)10-18/h12H,1-9,11,19H2.
What are the key properties of 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).