(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine

C26H54N6 — CID 138551332

IUPAC(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C(C[C@H]2CN(C(C)C)CC(C[C@@H]3CN(C(C)C)CCN3C)N2C)C1
InChIInChI=1S/C26H54N6/c1-20(2)30-12-10-27(7)23(16-30)14-25-18-32(22(5)6)19-26(29(25)9)15-24-17-31(21(3)4)13-11-28(24)8/h20-26H,10-19H2,1-9H3/t23-,24?,25?,26+/m1/s1
InChIKeyWQYGTJFVLUCJSK-XWPUUTJGSA-N
MW450.76 g/mol
LogP2.21
Rot. Bonds7

About (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine

(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 138551332) has the molecular formula C26H54N6 and a molecular weight of 450.76 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID138551332
Molecular FormulaC26H54N6
Molecular Weight450.76 g/mol
Exact Mass450.44
IUPAC Name(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)C(C[C@H]2CN(C(C)C)CC(C[C@@H]3CN(C(C)C)CCN3C)N2C)C1
InChIInChI=1S/C26H54N6/c1-20(2)30-12-10-27(7)23(16-30)14-25-18-32(22(5)6)19-26(29(25)9)15-24-17-31(21(3)4)13-11-28(24)8/h20-26H,10-19H2,1-9H3/t23-,24?,25?,26+/m1/s1
InChIKeyWQYGTJFVLUCJSK-XWPUUTJGSA-N
XLogP2.21
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine (CID 138551332) is (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C)C(C[C@H]2CN(C(C)C)CC(C[C@@H]3CN(C(C)C)CCN3C)N2C)C1.
What is the InChIKey of (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is WQYGTJFVLUCJSK-XWPUUTJGSA-N. The full InChI is InChI=1S/C26H54N6/c1-20(2)30-12-10-27(7)23(16-30)14-25-18-32(22(5)6)19-26(29(25)9)15-24-17-31(21(3)4)13-11-28(24)8/h20-26H,10-19H2,1-9H3/t23-,24?,25?,26+/m1/s1.
What are the key properties of (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine?
(2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 450.76 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[(1-methyl-4-propan-2-ylpiperazin-2-yl)methyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 138551332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).