trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate

C9H15F3N2O2 — CID 175653965

IUPACtrifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(F)(F)F)CCN1
InChIInChI=1S/C9H15F3N2O2/c1-6(2)7-5-14(4-3-13-7)8(15)16-9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeySPIZYWMKMWLPNV-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.57
Rot. Bonds1

About trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate

trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate (PubChem CID 175653965) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
PubChem CID175653965
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Nametrifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)C1CN(C(=O)OC(F)(F)F)CCN1
InChIInChI=1S/C9H15F3N2O2/c1-6(2)7-5-14(4-3-13-7)8(15)16-9(10,11)12/h6-7,13H,3-5H2,1-2H3
InChIKeySPIZYWMKMWLPNV-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(1-fluoroethyl)piperazine-1-carboxylate
CID 83853732
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852
2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241664
2,2,2-trifluoro-1-(3-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 82243511
tert-butyl 3-[1-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 150651701
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
ethane;(4-methylpiperidin-1-yl)-(3-propan-2-ylpiperazin-1-yl)methanone
CID 144702631
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072245
tert-butyl 3-formyloxypiperazine-1-carboxylate
CID 129303164
tert-butyl 3-tert-butylpiperazine-1-carboxylate;hydrochloride
CID 57355298
tert-butyl 3-[(1R)-1-[2-chloro-5-(trifluoromethyl)pyridine-3-carbonyl]oxyethyl]piperazine-1-carboxylate
CID 175475678

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate (CID 175653965) is trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate is CC(C)C1CN(C(=O)OC(F)(F)F)CCN1.
What is the InChIKey of trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is SPIZYWMKMWLPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(2)7-5-14(4-3-13-7)8(15)16-9(10,11)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate?
trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 240.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 3-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 175653965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).