1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile

C17H15N3 — CID 11594114

IUPAC1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(C#N)C2)c2ccccc12
InChIInChI=1S/C17H15N3/c18-10-13-4-3-9-20(12-13)17-8-7-14(11-19)15-5-1-2-6-16(15)17/h1-2,5-8,13H,3-4,9,12H2
InChIKeyAGXDYVSQGDVKDL-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.45
Rot. Bonds1

About 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile

1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile (PubChem CID 11594114) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
PubChem CID11594114
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(C#N)C2)c2ccccc12
InChIInChI=1S/C17H15N3/c18-10-13-4-3-9-20(12-13)17-8-7-14(11-19)15-5-1-2-6-16(15)17/h1-2,5-8,13H,3-4,9,12H2
InChIKeyAGXDYVSQGDVKDL-UHFFFAOYSA-N
XLogP3.45
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile?
The IUPAC name of 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile (CID 11594114) is 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile is N#Cc1ccc(N2CCCC(C#N)C2)c2ccccc12.
What is the InChIKey of 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile?
The InChIKey is AGXDYVSQGDVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-10-13-4-3-9-20(12-13)17-8-7-14(11-19)15-5-1-2-6-16(15)17/h1-2,5-8,13H,3-4,9,12H2.
What are the key properties of 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile?
1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 11594114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).