N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine

C17H26BrN3 — CID 43280907

IUPACN-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H26BrN3/c1-20-9-7-16(8-10-20)21(2)17-11-14(18)4-3-13(17)12-19-15-5-6-15/h3-4,11,15-16,19H,5-10,12H2,1-2H3
InChIKeyKWPRUUMRFHDETJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.23
Rot. Bonds5

About N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine

N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43280907) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43280907
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC NameN-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H26BrN3/c1-20-9-7-16(8-10-20)21(2)17-11-14(18)4-3-13(17)12-19-15-5-6-15/h3-4,11,15-16,19H,5-10,12H2,1-2H3
InChIKeyKWPRUUMRFHDETJ-UHFFFAOYSA-N
XLogP3.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine (CID 43280907) is N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)c2cc(Br)ccc2CNC2CC2)CC1.
What is the InChIKey of N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is KWPRUUMRFHDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-20-9-7-16(8-10-20)21(2)17-11-14(18)4-3-13(17)12-19-15-5-6-15/h3-4,11,15-16,19H,5-10,12H2,1-2H3.
What are the key properties of N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine?
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 352.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43280907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).