2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile

C17H23N3 — CID 54409829

IUPAC2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile
SMILESN#Cc1ccccc1C1CCNC(C2CCNCC2)C1
InChIInChI=1S/C17H23N3/c18-12-15-3-1-2-4-16(15)14-7-10-20-17(11-14)13-5-8-19-9-6-13/h1-4,13-14,17,19-20H,5-11H2
InChIKeyVTIDNUWDJCPFIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.39
Rot. Bonds2

About 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile

2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile (PubChem CID 54409829) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile
PubChem CID54409829
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile
SMILESN#Cc1ccccc1C1CCNC(C2CCNCC2)C1
InChIInChI=1S/C17H23N3/c18-12-15-3-1-2-4-16(15)14-7-10-20-17(11-14)13-5-8-19-9-6-13/h1-4,13-14,17,19-20H,5-11H2
InChIKeyVTIDNUWDJCPFIC-UHFFFAOYSA-N
XLogP2.39
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile?
The IUPAC name of 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile (CID 54409829) is 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile.
What is the SMILES notation for 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile?
The canonical SMILES for 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile is N#Cc1ccccc1C1CCNC(C2CCNCC2)C1.
What is the InChIKey of 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile?
The InChIKey is VTIDNUWDJCPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-12-15-3-1-2-4-16(15)14-7-10-20-17(11-14)13-5-8-19-9-6-13/h1-4,13-14,17,19-20H,5-11H2.
What are the key properties of 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile?
2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylpiperidin-4-yl)benzonitrile is sourced from PubChem (CID 54409829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).