N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine

C12H19BrN2O — CID 750981

IUPACN-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(Br)o2)CC1
InChIInChI=1S/C12H19BrN2O/c1-14-7-5-10(6-8-14)15(2)9-11-3-4-12(13)16-11/h3-4,10H,5-9H2,1-2H3
InChIKeyICOLCTVQARDCSH-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.57
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 750981) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID750981
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc(Br)o2)CC1
InChIInChI=1S/C12H19BrN2O/c1-14-7-5-10(6-8-14)15(2)9-11-3-4-12(13)16-11/h3-4,10H,5-9H2,1-2H3
InChIKeyICOLCTVQARDCSH-UHFFFAOYSA-N
XLogP2.57
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine (CID 750981) is N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2ccc(Br)o2)CC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ICOLCTVQARDCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-14-7-5-10(6-8-14)15(2)9-11-3-4-12(13)16-11/h3-4,10H,5-9H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 287.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 750981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).