1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine

C17H34N2O2 — CID 130178505

IUPAC1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine
SMILESCC(C)OC1CCN(CCC(C)OC2CCN(C)CC2)C1
InChIInChI=1S/C17H34N2O2/c1-14(2)20-17-8-12-19(13-17)11-5-15(3)21-16-6-9-18(4)10-7-16/h14-17H,5-13H2,1-4H3
InChIKeyKYCVEWRGBNEOLG-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.38
Rot. Bonds7

About 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine

1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine (PubChem CID 130178505) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine
PubChem CID130178505
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine
SMILESCC(C)OC1CCN(CCC(C)OC2CCN(C)CC2)C1
InChIInChI=1S/C17H34N2O2/c1-14(2)20-17-8-12-19(13-17)11-5-15(3)21-16-6-9-18(4)10-7-16/h14-17H,5-13H2,1-4H3
InChIKeyKYCVEWRGBNEOLG-UHFFFAOYSA-N
XLogP2.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine?
The IUPAC name of 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine (CID 130178505) is 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine is CC(C)OC1CCN(CCC(C)OC2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine?
The InChIKey is KYCVEWRGBNEOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)20-17-8-12-19(13-17)11-5-15(3)21-16-6-9-18(4)10-7-16/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine?
1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine has a molecular weight of 298.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine is sourced from PubChem (CID 130178505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).