2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine

C23H44N2O — CID 155348619

IUPAC2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNC(CC(CC2CCCN(C(C)C)C2)C2CCOC2)C1
InChIInChI=1S/C23H44N2O/c1-17(2)20-7-9-24-23(13-20)14-22(21-8-11-26-16-21)12-19-6-5-10-25(15-19)18(3)4/h17-24H,5-16H2,1-4H3
InChIKeyPSLIDXLYKPYMSH-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.56
Rot. Bonds7

About 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine

2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine (PubChem CID 155348619) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine
PubChem CID155348619
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNC(CC(CC2CCCN(C(C)C)C2)C2CCOC2)C1
InChIInChI=1S/C23H44N2O/c1-17(2)20-7-9-24-23(13-20)14-22(21-8-11-26-16-21)12-19-6-5-10-25(15-19)18(3)4/h17-24H,5-16H2,1-4H3
InChIKeyPSLIDXLYKPYMSH-UHFFFAOYSA-N
XLogP4.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine?
The IUPAC name of 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine (CID 155348619) is 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine is CC(C)C1CCNC(CC(CC2CCCN(C(C)C)C2)C2CCOC2)C1.
What is the InChIKey of 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine?
The InChIKey is PSLIDXLYKPYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-17(2)20-7-9-24-23(13-20)14-22(21-8-11-26-16-21)12-19-6-5-10-25(15-19)18(3)4/h17-24H,5-16H2,1-4H3.
What are the key properties of 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine?
2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine has a molecular weight of 364.62 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)propyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 155348619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).