2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine

C22H46N4 — CID 134350836

IUPAC2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)C(C)C1
InChIInChI=1S/C22H46N4/c1-17(2)23-11-13-25(21(7)15-23)19(5)9-10-20(6)26-14-12-24(18(3)4)16-22(26)8/h17-22H,9-16H2,1-8H3
InChIKeySNBPCECJFCIUPC-UHFFFAOYSA-N
MW366.64 g/mol
LogP3.37
Rot. Bonds7

About 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine

2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine (PubChem CID 134350836) has the molecular formula C22H46N4 and a molecular weight of 366.64 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine
PubChem CID134350836
Molecular FormulaC22H46N4
Molecular Weight366.64 g/mol
Exact Mass366.37
IUPAC Name2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)C(C)C1
InChIInChI=1S/C22H46N4/c1-17(2)23-11-13-25(21(7)15-23)19(5)9-10-20(6)26-14-12-24(18(3)4)16-22(26)8/h17-22H,9-16H2,1-8H3
InChIKeySNBPCECJFCIUPC-UHFFFAOYSA-N
XLogP3.37
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine (CID 134350836) is 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C(C)CCC(C)N2CCN(C(C)C)CC2C)C(C)C1.
What is the InChIKey of 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is SNBPCECJFCIUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N4/c1-17(2)23-11-13-25(21(7)15-23)19(5)9-10-20(6)26-14-12-24(18(3)4)16-22(26)8/h17-22H,9-16H2,1-8H3.
What are the key properties of 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine?
2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 366.64 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 134350836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).