1-(3-bromofuran-2-yl)piperidin-3-amine

C9H13BrN2O — CID 63950608

IUPAC1-(3-bromofuran-2-yl)piperidin-3-amine
SMILESNC1CCCN(c2occc2Br)C1
InChIInChI=1S/C9H13BrN2O/c10-8-3-5-13-9(8)12-4-1-2-7(11)6-12/h3,5,7H,1-2,4,6,11H2
InChIKeyQYDNVVSQBCZVHM-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.97
Rot. Bonds1

About 1-(3-bromofuran-2-yl)piperidin-3-amine

1-(3-bromofuran-2-yl)piperidin-3-amine (PubChem CID 63950608) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)piperidin-3-amine
PubChem CID63950608
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(3-bromofuran-2-yl)piperidin-3-amine
SMILESNC1CCCN(c2occc2Br)C1
InChIInChI=1S/C9H13BrN2O/c10-8-3-5-13-9(8)12-4-1-2-7(11)6-12/h3,5,7H,1-2,4,6,11H2
InChIKeyQYDNVVSQBCZVHM-UHFFFAOYSA-N
XLogP1.97
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)piperidin-3-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)piperidin-3-amine (CID 63950608) is 1-(3-bromofuran-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)piperidin-3-amine is NC1CCCN(c2occc2Br)C1.
What is the InChIKey of 1-(3-bromofuran-2-yl)piperidin-3-amine?
The InChIKey is QYDNVVSQBCZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-3-5-13-9(8)12-4-1-2-7(11)6-12/h3,5,7H,1-2,4,6,11H2.
What are the key properties of 1-(3-bromofuran-2-yl)piperidin-3-amine?
1-(3-bromofuran-2-yl)piperidin-3-amine has a molecular weight of 245.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)piperidin-3-amine is sourced from PubChem (CID 63950608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).