1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine

C18H30N2 — CID 64839049

IUPAC1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H30N2/c1-14(2)16-13-20(12-15-9-7-6-8-10-15)17(11-19-16)18(3,4)5/h6-10,14,16-17,19H,11-13H2,1-5H3
InChIKeyRWRLVWWIJNDSNV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.53
Rot. Bonds3

About 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine

1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine (PubChem CID 64839049) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
PubChem CID64839049
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(Cc2ccccc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H30N2/c1-14(2)16-13-20(12-15-9-7-6-8-10-15)17(11-19-16)18(3,4)5/h6-10,14,16-17,19H,11-13H2,1-5H3
InChIKeyRWRLVWWIJNDSNV-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine (CID 64839049) is 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine is CC(C)C1CN(Cc2ccccc2)C(C(C)(C)C)CN1.
What is the InChIKey of 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine?
The InChIKey is RWRLVWWIJNDSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)16-13-20(12-15-9-7-6-8-10-15)17(11-19-16)18(3,4)5/h6-10,14,16-17,19H,11-13H2,1-5H3.
What are the key properties of 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine?
1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-tert-butyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).