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

C22H44N4 — CID 69465678

IUPAC1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCN2CCN(CCN3CC(C)CC(C)C3)C2)C1
InChIInChI=1S/C22H44N4/c1-19-12-20(2)15-25(14-19)7-5-6-23-8-9-24(18-23)10-11-26-16-21(3)13-22(4)17-26/h19-22H,5-18H2,1-4H3
InChIKeyNPAHUMCNZBLVQO-UHFFFAOYSA-N
MW364.62 g/mol
LogP2.91
Rot. Bonds7

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

1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine (PubChem CID 69465678) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine
PubChem CID69465678
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CCCN2CCN(CCN3CC(C)CC(C)C3)C2)C1
InChIInChI=1S/C22H44N4/c1-19-12-20(2)15-25(14-19)7-5-6-23-8-9-24(18-23)10-11-26-16-21(3)13-22(4)17-26/h19-22H,5-18H2,1-4H3
InChIKeyNPAHUMCNZBLVQO-UHFFFAOYSA-N
XLogP2.91
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-3,5-dimethylpiperidine?
The IUPAC name of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine (CID 69465678) is 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CCCN2CCN(CCN3CC(C)CC(C)C3)C2)C1.
What is the InChIKey of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine?
The InChIKey is NPAHUMCNZBLVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4/c1-19-12-20(2)15-25(14-19)7-5-6-23-8-9-24(18-23)10-11-26-16-21(3)13-22(4)17-26/h19-22H,5-18H2,1-4H3.
What are the key properties of 1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine?
1-[3-[3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]imidazolidin-1-yl]propyl]-3,5-dimethylpiperidine has a molecular weight of 364.62 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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]-3,5-dimethylpiperidine is sourced from PubChem (CID 69465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).