1-(6-bromonaphthalen-2-yl)piperidin-2-imine

C15H15BrN2 — CID 81260115

IUPAC1-(6-bromonaphthalen-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15BrN2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-8-2-1-3-15(18)17/h4-7,9-10,17H,1-3,8H2/b17-15+
InChIKeyMXPCRFXAYSYELY-BMRADRMJSA-N
MW303.20 g/mol
LogP4.57
Rot. Bonds1

About 1-(6-bromonaphthalen-2-yl)piperidin-2-imine

1-(6-bromonaphthalen-2-yl)piperidin-2-imine (PubChem CID 81260115) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)piperidin-2-imine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)piperidin-2-imine
PubChem CID81260115
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name1-(6-bromonaphthalen-2-yl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H15BrN2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-8-2-1-3-15(18)17/h4-7,9-10,17H,1-3,8H2/b17-15+
InChIKeyMXPCRFXAYSYELY-BMRADRMJSA-N
XLogP4.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)piperidin-2-imine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)piperidin-2-imine (CID 81260115) is 1-(6-bromonaphthalen-2-yl)piperidin-2-imine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)piperidin-2-imine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)piperidin-2-imine is [H]/N=C1\CCCCN1c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)piperidin-2-imine?
The InChIKey is MXPCRFXAYSYELY-BMRADRMJSA-N. The full InChI is InChI=1S/C15H15BrN2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-8-2-1-3-15(18)17/h4-7,9-10,17H,1-3,8H2/b17-15+.
What are the key properties of 1-(6-bromonaphthalen-2-yl)piperidin-2-imine?
1-(6-bromonaphthalen-2-yl)piperidin-2-imine has a molecular weight of 303.20 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)piperidin-2-imine is sourced from PubChem (CID 81260115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).