tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine

C23H40N4O3 — CID 67752790

IUPACtert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine
SMILESC1CNCCN1.COCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3.C4H10N2/c1-19(2,3)24-18(22)21-12-11-20(15-17(21)10-13-23-4)14-16-8-6-5-7-9-16;1-2-6-4-3-5-1/h5-9,17H,10-15H2,1-4H3;5-6H,1-4H2/t17-;/m0./s1
InChIKeyCUGRGDMJLSITRH-LMOVPXPDSA-N
MW420.60 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine

tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine (PubChem CID 67752790) has the molecular formula C23H40N4O3 and a molecular weight of 420.60 g/mol. Its IUPAC name is tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine.

Molecular Properties

Compound Nametert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine
PubChem CID67752790
Molecular FormulaC23H40N4O3
Molecular Weight420.60 g/mol
Exact Mass420.31
IUPAC Nametert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine
SMILESC1CNCCN1.COCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3.C4H10N2/c1-19(2,3)24-18(22)21-12-11-20(15-17(21)10-13-23-4)14-16-8-6-5-7-9-16;1-2-6-4-3-5-1/h5-9,17H,10-15H2,1-4H3;5-6H,1-4H2/t17-;/m0./s1
InChIKeyCUGRGDMJLSITRH-LMOVPXPDSA-N
XLogP2.32
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine?
The IUPAC name of tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine (CID 67752790) is tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine.
What is the SMILES notation for tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine?
The canonical SMILES for tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine is C1CNCCN1.COCC[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine?
The InChIKey is CUGRGDMJLSITRH-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H30N2O3.C4H10N2/c1-19(2,3)24-18(22)21-12-11-20(15-17(21)10-13-23-4)14-16-8-6-5-7-9-16;1-2-6-4-3-5-1/h5-9,17H,10-15H2,1-4H3;5-6H,1-4H2/t17-;/m0./s1.
What are the key properties of tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine?
tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine has a molecular weight of 420.60 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-benzyl-2-(2-methoxyethyl)piperazine-1-carboxylate;piperazine is sourced from PubChem (CID 67752790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).