1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate

C15H16F6N2O2 — CID 118098574

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)12(15(19,20)21)25-13(24)23-8-6-22(7-9-23)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyZURNYTGUSMYPSN-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.43
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate (PubChem CID 118098574) has the molecular formula C15H16F6N2O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
PubChem CID118098574
Molecular FormulaC15H16F6N2O2
Molecular Weight370.29 g/mol
Exact Mass370.11
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)12(15(19,20)21)25-13(24)23-8-6-22(7-9-23)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyZURNYTGUSMYPSN-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate 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

1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 166650238
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 89480931
1,1,1,3,3,3-hexafluoropropan-2-yl 4-phenylsulfanylpiperazine-1-carboxylate
CID 123834989
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(4-chlorophenyl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 159322921
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 71657394
4-[5-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]-2-methylbenzoyl]cyclohexane-1-carboxylic acid
CID 158324640
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-(azetidine-1-carbonyl)-2-chlorophenyl]methyl]piperazine-1-carboxylate
CID 71656218
1-(4-benzylpiperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 3089162
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzhydrylidenepiperidine-1-carboxylate
CID 118098575
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-(morpholin-4-ylmethyl)-2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxylate
CID 122530048
1-[2-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)piperazin-1-yl]methyl]-6-methylphenyl]cyclopentane-1-carboxylic acid
CID 134365325

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate (CID 118098574) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate?
The InChIKey is ZURNYTGUSMYPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O2/c16-14(17,18)12(15(19,20)21)25-13(24)23-8-6-22(7-9-23)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate has a molecular weight of 370.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 118098574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).