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

C17H26BrN3 — CID 43586310

IUPAC1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H26BrN3/c1-20(2)16-7-9-21(10-8-16)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
InChIKeyDCNYVAPELRBEFN-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.23
Rot. Bonds5

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

1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43586310) has the molecular formula C17H26BrN3 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID43586310
Molecular FormulaC17H26BrN3
Molecular Weight352.32 g/mol
Exact Mass351.13
IUPAC Name1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1
InChIInChI=1S/C17H26BrN3/c1-20(2)16-7-9-21(10-8-16)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
InChIKeyDCNYVAPELRBEFN-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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Related Compounds

1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
CID 63782727
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164477
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
CID 62205571
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356996
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine (CID 43586310) is 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cc(Br)ccc2CNC2CC2)CC1.
What is the InChIKey of 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DCNYVAPELRBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3/c1-20(2)16-7-9-21(10-8-16)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 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine?
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-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 1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43586310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).