4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine

C18H36N4 — CID 69467597

IUPAC4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CCN(CCC3CCCN3C)C2)CC1
InChIInChI=1S/C18H36N4/c1-16(2)21-11-7-18(8-12-21)22-14-13-20(15-22)10-6-17-5-4-9-19(17)3/h16-18H,4-15H2,1-3H3
InChIKeyXAEOOSICJLYOPN-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.92
Rot. Bonds5

About 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine

4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 69467597) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID69467597
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(N2CCN(CCC3CCCN3C)C2)CC1
InChIInChI=1S/C18H36N4/c1-16(2)21-11-7-18(8-12-21)22-14-13-20(15-22)10-6-17-5-4-9-19(17)3/h16-18H,4-15H2,1-3H3
InChIKeyXAEOOSICJLYOPN-UHFFFAOYSA-N
XLogP1.92
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine (CID 69467597) is 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(N2CCN(CCC3CCCN3C)C2)CC1.
What is the InChIKey of 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is XAEOOSICJLYOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-16(2)21-11-7-18(8-12-21)22-14-13-20(15-22)10-6-17-5-4-9-19(17)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine?
4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 308.51 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazolidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 69467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).