bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene

C19H42N4 — CID 142464960

IUPACbis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene
SMILESC=CC.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/2C8H18N2.C3H6/c2*1-8(2)10-6-4-9(3)5-7-10;1-3-2/h2*8H,4-7H2,1-3H3;3H,1H2,2H3
InChIKeyKABHDCNBDMKTDU-UHFFFAOYSA-N
MW326.57 g/mol
LogP2.48
Rot. Bonds2

About bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene

bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene (PubChem CID 142464960) has the molecular formula C19H42N4 and a molecular weight of 326.57 g/mol. Its IUPAC name is bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene.

Molecular Properties

Compound Namebis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene
PubChem CID142464960
Molecular FormulaC19H42N4
Molecular Weight326.57 g/mol
Exact Mass326.34
IUPAC Namebis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene
SMILESC=CC.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/2C8H18N2.C3H6/c2*1-8(2)10-6-4-9(3)5-7-10;1-3-2/h2*8H,4-7H2,1-3H3;3H,1H2,2H3
InChIKeyKABHDCNBDMKTDU-UHFFFAOYSA-N
XLogP2.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene?
The IUPAC name of bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene (CID 142464960) is bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene.
What is the SMILES notation for bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene?
The canonical SMILES for bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene is C=CC.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene?
The InChIKey is KABHDCNBDMKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2.C3H6/c2*1-8(2)10-6-4-9(3)5-7-10;1-3-2/h2*8H,4-7H2,1-3H3;3H,1H2,2H3.
What are the key properties of bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene?
bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene has a molecular weight of 326.57 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-4-propan-2-ylpiperazine);prop-1-ene is sourced from PubChem (CID 142464960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).