4-amino-2-piperidin-1-ylbenzonitrile

C12H15N3 — CID 122504500

IUPAC4-amino-2-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(N)cc1N1CCCCC1
InChIInChI=1S/C12H15N3/c13-9-10-4-5-11(14)8-12(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2
InChIKeyRBACGERKIIODMZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds1

About 4-amino-2-piperidin-1-ylbenzonitrile

4-amino-2-piperidin-1-ylbenzonitrile (PubChem CID 122504500) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-amino-2-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-amino-2-piperidin-1-ylbenzonitrile
PubChem CID122504500
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-amino-2-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(N)cc1N1CCCCC1
InChIInChI=1S/C12H15N3/c13-9-10-4-5-11(14)8-12(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2
InChIKeyRBACGERKIIODMZ-UHFFFAOYSA-N
XLogP2.13
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-piperidin-1-ylbenzonitrile?
The IUPAC name of 4-amino-2-piperidin-1-ylbenzonitrile (CID 122504500) is 4-amino-2-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 4-amino-2-piperidin-1-ylbenzonitrile?
The canonical SMILES for 4-amino-2-piperidin-1-ylbenzonitrile is N#Cc1ccc(N)cc1N1CCCCC1.
What is the InChIKey of 4-amino-2-piperidin-1-ylbenzonitrile?
The InChIKey is RBACGERKIIODMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-9-10-4-5-11(14)8-12(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2.
What are the key properties of 4-amino-2-piperidin-1-ylbenzonitrile?
4-amino-2-piperidin-1-ylbenzonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 122504500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).