2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile

C13H15BrN2 — CID 43802860

IUPAC2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C13H15BrN2/c14-12-7-3-2-6-11(12)13(10-15)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-9H2
InChIKeyQPAAKXNHZUVTMF-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.50
Rot. Bonds2

About 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile

2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile (PubChem CID 43802860) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile
PubChem CID43802860
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile
SMILESN#CC(c1ccccc1Br)N1CCCCC1
InChIInChI=1S/C13H15BrN2/c14-12-7-3-2-6-11(12)13(10-15)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-9H2
InChIKeyQPAAKXNHZUVTMF-UHFFFAOYSA-N
XLogP3.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile?
The IUPAC name of 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile (CID 43802860) is 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile?
The canonical SMILES for 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile is N#CC(c1ccccc1Br)N1CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile?
The InChIKey is QPAAKXNHZUVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-12-7-3-2-6-11(12)13(10-15)16-8-4-1-5-9-16/h2-3,6-7,13H,1,4-5,8-9H2.
What are the key properties of 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile?
2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile has a molecular weight of 279.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-piperidin-1-ylacetonitrile is sourced from PubChem (CID 43802860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).