benzyl 4-benzyl-3-methylpiperazine-1-carboxylate

C20H24N2O2 — CID 23078613

IUPACbenzyl 4-benzyl-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-17-14-22(20(23)24-16-19-10-6-3-7-11-19)13-12-21(17)15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3
InChIKeySWMPULLEHLCHCX-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds4

About benzyl 4-benzyl-3-methylpiperazine-1-carboxylate

benzyl 4-benzyl-3-methylpiperazine-1-carboxylate (PubChem CID 23078613) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is benzyl 4-benzyl-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-benzyl-3-methylpiperazine-1-carboxylate
PubChem CID23078613
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namebenzyl 4-benzyl-3-methylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-17-14-22(20(23)24-16-19-10-6-3-7-11-19)13-12-21(17)15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3
InChIKeySWMPULLEHLCHCX-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-benzyl-3-methylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-benzyl-3-methylpiperazine-1-carboxylate (CID 23078613) is benzyl 4-benzyl-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-benzyl-3-methylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-benzyl-3-methylpiperazine-1-carboxylate is CC1CN(C(=O)OCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of benzyl 4-benzyl-3-methylpiperazine-1-carboxylate?
The InChIKey is SWMPULLEHLCHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-17-14-22(20(23)24-16-19-10-6-3-7-11-19)13-12-21(17)15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3.
What are the key properties of benzyl 4-benzyl-3-methylpiperazine-1-carboxylate?
benzyl 4-benzyl-3-methylpiperazine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-benzyl-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 23078613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).