1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine

C20H41N5 — CID 69468292

IUPAC1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
SMILESCC1CC(C)CN(CCN2CCN(CCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C20H41N5/c1-19-15-20(2)17-25(16-19)14-13-24-12-11-23(18-24)6-4-5-22-9-7-21(3)8-10-22/h19-20H,4-18H2,1-3H3
InChIKeyVRCQSRQUOUMWME-UHFFFAOYSA-N
MW351.58 g/mol
LogP1.18
Rot. Bonds7

About 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine

1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine (PubChem CID 69468292) has the molecular formula C20H41N5 and a molecular weight of 351.58 g/mol. Its IUPAC name is 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
PubChem CID69468292
Molecular FormulaC20H41N5
Molecular Weight351.58 g/mol
Exact Mass351.34
IUPAC Name1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine
SMILESCC1CC(C)CN(CCN2CCN(CCCN3CCN(C)CC3)C2)C1
InChIInChI=1S/C20H41N5/c1-19-15-20(2)17-25(16-19)14-13-24-12-11-23(18-24)6-4-5-22-9-7-21(3)8-10-22/h19-20H,4-18H2,1-3H3
InChIKeyVRCQSRQUOUMWME-UHFFFAOYSA-N
XLogP1.18
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine (CID 69468292) is 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine is CC1CC(C)CN(CCN2CCN(CCCN3CCN(C)CC3)C2)C1.
What is the InChIKey of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
The InChIKey is VRCQSRQUOUMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5/c1-19-15-20(2)17-25(16-19)14-13-24-12-11-23(18-24)6-4-5-22-9-7-21(3)8-10-22/h19-20H,4-18H2,1-3H3.
What are the key properties of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine?
1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine has a molecular weight of 351.58 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 69468292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).