1-but-2-en-2-yl-4-propan-2-ylpiperazine

C11H22N2 — CID 123906376

IUPAC1-but-2-en-2-yl-4-propan-2-ylpiperazine
SMILESCC=C(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h5,10H,6-9H2,1-4H3
InChIKeyNSTCILFBGDDPPT-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.94
Rot. Bonds2

About 1-but-2-en-2-yl-4-propan-2-ylpiperazine

1-but-2-en-2-yl-4-propan-2-ylpiperazine (PubChem CID 123906376) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-but-2-en-2-yl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-but-2-en-2-yl-4-propan-2-ylpiperazine
PubChem CID123906376
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-but-2-en-2-yl-4-propan-2-ylpiperazine
SMILESCC=C(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h5,10H,6-9H2,1-4H3
InChIKeyNSTCILFBGDDPPT-UHFFFAOYSA-N
XLogP1.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yl-4-propan-2-ylpiperazine?
The IUPAC name of 1-but-2-en-2-yl-4-propan-2-ylpiperazine (CID 123906376) is 1-but-2-en-2-yl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-but-2-en-2-yl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-but-2-en-2-yl-4-propan-2-ylpiperazine is CC=C(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-but-2-en-2-yl-4-propan-2-ylpiperazine?
The InChIKey is NSTCILFBGDDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h5,10H,6-9H2,1-4H3.
What are the key properties of 1-but-2-en-2-yl-4-propan-2-ylpiperazine?
1-but-2-en-2-yl-4-propan-2-ylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-4-propan-2-ylpiperazine is sourced from PubChem (CID 123906376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).