1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone

C19H35F3N4O — CID 135299487

IUPAC1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H35F3N4O/c1-17(2,3)25-12-8-23(9-13-25)7-6-18(4,5)26-14-10-24(11-15-26)16(27)19(20,21)22/h6-15H2,1-5H3
InChIKeySZXSVJGULQXEGG-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 135299487) has the molecular formula C19H35F3N4O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID135299487
Molecular FormulaC19H35F3N4O
Molecular Weight392.51 g/mol
Exact Mass392.28
IUPAC Name1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H35F3N4O/c1-17(2,3)25-12-8-23(9-13-25)7-6-18(4,5)26-14-10-24(11-15-26)16(27)19(20,21)22/h6-15H2,1-5H3
InChIKeySZXSVJGULQXEGG-UHFFFAOYSA-N
XLogP2.28
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone 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

4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazine-1-carboxamide
CID 167004574
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62729157
methyl 4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]butanoate
CID 152602216
3-chloro-2,2-dimethyl-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]propan-1-one
CID 108567619
[[1-(4-tert-butylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]methanesulfonic acid
CID 167383393
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 107334920
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone (CID 135299487) is 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is CC(C)(C)N1CCN(CCC(C)(C)N2CCN(C(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is SZXSVJGULQXEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3N4O/c1-17(2,3)25-12-8-23(9-13-25)7-6-18(4,5)26-14-10-24(11-15-26)16(27)19(20,21)22/h6-15H2,1-5H3.
What are the key properties of 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 392.51 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 135299487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).