1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile

C17H31N3O — CID 130288050

IUPAC1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile
SMILESCC(C)N1CCC(OC(C)(C)N2CCC(C#N)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-14(2)19-9-7-16(8-10-19)21-17(3,4)20-11-5-15(13-18)6-12-20/h14-16H,5-12H2,1-4H3
InChIKeyXRNYATFXUZINMF-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile

1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile (PubChem CID 130288050) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile
PubChem CID130288050
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile
SMILESCC(C)N1CCC(OC(C)(C)N2CCC(C#N)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-14(2)19-9-7-16(8-10-19)21-17(3,4)20-11-5-15(13-18)6-12-20/h14-16H,5-12H2,1-4H3
InChIKeyXRNYATFXUZINMF-UHFFFAOYSA-N
XLogP2.85
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile (CID 130288050) is 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile is CC(C)N1CCC(OC(C)(C)N2CCC(C#N)CC2)CC1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile?
The InChIKey is XRNYATFXUZINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)19-9-7-16(8-10-19)21-17(3,4)20-11-5-15(13-18)6-12-20/h14-16H,5-12H2,1-4H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile?
1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile has a molecular weight of 293.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 130288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).