N-(3-bromophenyl)piperidin-4-amine;dihydrochloride

C11H17BrCl2N2 — CID 66545673

IUPACN-(3-bromophenyl)piperidin-4-amine;dihydrochloride
SMILESBrc1cccc(NC2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C11H15BrN2.2ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;;/h1-3,8,10,13-14H,4-7H2;2*1H
InChIKeyBUVBEMZSOKDYLD-UHFFFAOYSA-N
MW328.08 g/mol
LogP3.46
Rot. Bonds2

About N-(3-bromophenyl)piperidin-4-amine;dihydrochloride

N-(3-bromophenyl)piperidin-4-amine;dihydrochloride (PubChem CID 66545673) has the molecular formula C11H17BrCl2N2 and a molecular weight of 328.08 g/mol. Its IUPAC name is N-(3-bromophenyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(3-bromophenyl)piperidin-4-amine;dihydrochloride
PubChem CID66545673
Molecular FormulaC11H17BrCl2N2
Molecular Weight328.08 g/mol
Exact Mass326.00
IUPAC NameN-(3-bromophenyl)piperidin-4-amine;dihydrochloride
SMILESBrc1cccc(NC2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C11H15BrN2.2ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;;/h1-3,8,10,13-14H,4-7H2;2*1H
InChIKeyBUVBEMZSOKDYLD-UHFFFAOYSA-N
XLogP3.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of N-(3-bromophenyl)piperidin-4-amine;dihydrochloride (CID 66545673) is N-(3-bromophenyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(3-bromophenyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(3-bromophenyl)piperidin-4-amine;dihydrochloride is Brc1cccc(NC2CCNCC2)c1.Cl.Cl.
What is the InChIKey of N-(3-bromophenyl)piperidin-4-amine;dihydrochloride?
The InChIKey is BUVBEMZSOKDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2.2ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;;/h1-3,8,10,13-14H,4-7H2;2*1H.
What are the key properties of N-(3-bromophenyl)piperidin-4-amine;dihydrochloride?
N-(3-bromophenyl)piperidin-4-amine;dihydrochloride has a molecular weight of 328.08 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 66545673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).