4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile

C17H23N3 — CID 22993489

IUPAC4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H23N3/c18-14-17(15-4-2-1-3-5-15)8-12-20(13-9-17)16-6-10-19-11-7-16/h1-5,16,19H,6-13H2
InChIKeyIKDBEDSQCBHYQX-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.30
Rot. Bonds2

About 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile

4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile (PubChem CID 22993489) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
PubChem CID22993489
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H23N3/c18-14-17(15-4-2-1-3-5-15)8-12-20(13-9-17)16-6-10-19-11-7-16/h1-5,16,19H,6-13H2
InChIKeyIKDBEDSQCBHYQX-UHFFFAOYSA-N
XLogP2.30
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile (CID 22993489) is 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C2CCNCC2)CC1.
What is the InChIKey of 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile?
The InChIKey is IKDBEDSQCBHYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-14-17(15-4-2-1-3-5-15)8-12-20(13-9-17)16-6-10-19-11-7-16/h1-5,16,19H,6-13H2.
What are the key properties of 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile?
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 22993489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).