3-(1-benzylpiperidin-4-yl)oxypropanenitrile

C15H20N2O — CID 2794599

IUPAC3-(1-benzylpiperidin-4-yl)oxypropanenitrile
SMILESN#CCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2
InChIKeyXTUAIKRVIJDPCZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds5

About 3-(1-benzylpiperidin-4-yl)oxypropanenitrile

3-(1-benzylpiperidin-4-yl)oxypropanenitrile (PubChem CID 2794599) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)oxypropanenitrile.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)oxypropanenitrile
PubChem CID2794599
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(1-benzylpiperidin-4-yl)oxypropanenitrile
SMILESN#CCCOC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2
InChIKeyXTUAIKRVIJDPCZ-UHFFFAOYSA-N
XLogP2.58
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)oxypropanenitrile?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)oxypropanenitrile (CID 2794599) is 3-(1-benzylpiperidin-4-yl)oxypropanenitrile.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)oxypropanenitrile?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)oxypropanenitrile is N#CCCOC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)oxypropanenitrile?
The InChIKey is XTUAIKRVIJDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-8,10-13H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)oxypropanenitrile?
3-(1-benzylpiperidin-4-yl)oxypropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)oxypropanenitrile is sourced from PubChem (CID 2794599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).