N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

C12H19BrN2O — CID 106885993

IUPACN-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1occc1Br)CC1CCNCC1
InChIInChI=1S/C12H19BrN2O/c1-15(8-10-2-5-14-6-3-10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3
InChIKeyPFPXDLLHIPRYDH-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine

N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (PubChem CID 106885993) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
PubChem CID106885993
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
SMILESCN(Cc1occc1Br)CC1CCNCC1
InChIInChI=1S/C12H19BrN2O/c1-15(8-10-2-5-14-6-3-10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3
InChIKeyPFPXDLLHIPRYDH-UHFFFAOYSA-N
XLogP2.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine (CID 106885993) is N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is CN(Cc1occc1Br)CC1CCNCC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
The InChIKey is PFPXDLLHIPRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-15(8-10-2-5-14-6-3-10)9-12-11(13)4-7-16-12/h4,7,10,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine?
N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 106885993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).