1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine

C21H43N5 — CID 69467584

IUPAC1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
SMILESCC1CC(C)CN(CCCN2CCN(CCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C21H43N5/c1-20-16-21(2)18-26(17-20)9-5-8-25-15-14-24(19-25)7-4-6-23-12-10-22(3)11-13-23/h20-21H,4-19H2,1-3H3
InChIKeyIKLLEMUDOUKXPG-UHFFFAOYSA-N
MW365.61 g/mol
LogP1.57
Rot. Bonds8

About 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine

1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine (PubChem CID 69467584) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
PubChem CID69467584
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC Name1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
SMILESCC1CC(C)CN(CCCN2CCN(CCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C21H43N5/c1-20-16-21(2)18-26(17-20)9-5-8-25-15-14-24(19-25)7-4-6-23-12-10-22(3)11-13-23/h20-21H,4-19H2,1-3H3
InChIKeyIKLLEMUDOUKXPG-UHFFFAOYSA-N
XLogP1.57
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine (CID 69467584) is 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine is CC1CC(C)CN(CCCN2CCN(CCCN3CCN(C)CC3)C2)C1.
What is the InChIKey of 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The InChIKey is IKLLEMUDOUKXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5/c1-20-16-21(2)18-26(17-20)9-5-8-25-15-14-24(19-25)7-4-6-23-12-10-22(3)11-13-23/h20-21H,4-19H2,1-3H3.
What are the key properties of 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine has a molecular weight of 365.61 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(3,5-dimethylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 69467584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).