4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine

C21H41N3 — CID 130223859

IUPAC4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine
SMILESCC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCC3)CC2)C1
InChIInChI=1S/C21H41N3/c1-17(2)23-12-7-19(16-23)15-18(3)22-13-8-20(9-14-22)21(4,5)24-10-6-11-24/h17-20H,6-16H2,1-5H3
InChIKeyAYPSWJQUYOLRBB-UHFFFAOYSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds6

About 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine

4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine (PubChem CID 130223859) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine
PubChem CID130223859
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine
SMILESCC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCC3)CC2)C1
InChIInChI=1S/C21H41N3/c1-17(2)23-12-7-19(16-23)15-18(3)22-13-8-20(9-14-22)21(4,5)24-10-6-11-24/h17-20H,6-16H2,1-5H3
InChIKeyAYPSWJQUYOLRBB-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine?
The IUPAC name of 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine (CID 130223859) is 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine.
What is the SMILES notation for 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine?
The canonical SMILES for 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine is CC(C)N1CCC(CC(C)N2CCC(C(C)(C)N3CCC3)CC2)C1.
What is the InChIKey of 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine?
The InChIKey is AYPSWJQUYOLRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-17(2)23-12-7-19(16-23)15-18(3)22-13-8-20(9-14-22)21(4,5)24-10-6-11-24/h17-20H,6-16H2,1-5H3.
What are the key properties of 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine?
4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine has a molecular weight of 335.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-1-yl)propan-2-yl]-1-[1-(1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]piperidine is sourced from PubChem (CID 130223859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).