1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine

C24H48N4 — CID 129276826

IUPAC1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine
SMILESCCCN1CCN(CC(C)C)C(C2CCN(C3CCN(CC(C)C)CC3)C2)C1
InChIInChI=1S/C24H48N4/c1-6-10-25-14-15-28(17-21(4)5)24(19-25)22-7-13-27(18-22)23-8-11-26(12-9-23)16-20(2)3/h20-24H,6-19H2,1-5H3
InChIKeyAYACCFLFBXEPTP-UHFFFAOYSA-N
MW392.68 g/mol
LogP3.48
Rot. Bonds8

About 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine

1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine (PubChem CID 129276826) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine
PubChem CID129276826
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC Name1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine
SMILESCCCN1CCN(CC(C)C)C(C2CCN(C3CCN(CC(C)C)CC3)C2)C1
InChIInChI=1S/C24H48N4/c1-6-10-25-14-15-28(17-21(4)5)24(19-25)22-7-13-27(18-22)23-8-11-26(12-9-23)16-20(2)3/h20-24H,6-19H2,1-5H3
InChIKeyAYACCFLFBXEPTP-UHFFFAOYSA-N
XLogP3.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine?
The IUPAC name of 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine (CID 129276826) is 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine.
What is the SMILES notation for 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine?
The canonical SMILES for 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine is CCCN1CCN(CC(C)C)C(C2CCN(C3CCN(CC(C)C)CC3)C2)C1.
What is the InChIKey of 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine?
The InChIKey is AYACCFLFBXEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4/c1-6-10-25-14-15-28(17-21(4)5)24(19-25)22-7-13-27(18-22)23-8-11-26(12-9-23)16-20(2)3/h20-24H,6-19H2,1-5H3.
What are the key properties of 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine?
1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine has a molecular weight of 392.68 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl]-4-propylpiperazine is sourced from PubChem (CID 129276826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).