benzyl 4-benzylpiperazine-1-carboxylate

C19H22N2O2 — CID 11415654

IUPACbenzyl 4-benzylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(23-16-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyCJHJENGZHIVVIH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.14
Rot. Bonds4

About benzyl 4-benzylpiperazine-1-carboxylate

benzyl 4-benzylpiperazine-1-carboxylate (PubChem CID 11415654) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is benzyl 4-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-benzylpiperazine-1-carboxylate
PubChem CID11415654
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namebenzyl 4-benzylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(23-16-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyCJHJENGZHIVVIH-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-benzylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-benzylpiperazine-1-carboxylate (CID 11415654) is benzyl 4-benzylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-benzylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-benzylpiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of benzyl 4-benzylpiperazine-1-carboxylate?
The InChIKey is CJHJENGZHIVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23-16-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of benzyl 4-benzylpiperazine-1-carboxylate?
benzyl 4-benzylpiperazine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 11415654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).