1-(3-bromofuran-2-yl)piperidin-4-amine

C9H13BrN2O — CID 63947994

IUPAC1-(3-bromofuran-2-yl)piperidin-4-amine
SMILESNC1CCN(c2occc2Br)CC1
InChIInChI=1S/C9H13BrN2O/c10-8-3-6-13-9(8)12-4-1-7(11)2-5-12/h3,6-7H,1-2,4-5,11H2
InChIKeyCNQFAFAEVMARNM-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.97
Rot. Bonds1

About 1-(3-bromofuran-2-yl)piperidin-4-amine

1-(3-bromofuran-2-yl)piperidin-4-amine (PubChem CID 63947994) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)piperidin-4-amine
PubChem CID63947994
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(3-bromofuran-2-yl)piperidin-4-amine
SMILESNC1CCN(c2occc2Br)CC1
InChIInChI=1S/C9H13BrN2O/c10-8-3-6-13-9(8)12-4-1-7(11)2-5-12/h3,6-7H,1-2,4-5,11H2
InChIKeyCNQFAFAEVMARNM-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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Related Compounds

Furylpiperidine
CID 53956448
1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101315
1-(Furan-2-yl)piperazine
CID 19763577
1-(Furan-2-yl)-3-methylpiperazine
CID 63949565
N,N-bis(furan-2-yl)piperidin-4-amine
CID 69704076
N-(furan-2-yl)piperidin-4-amine
CID 69816779
4-Azido-1-(furan-2-yl)piperidine
CID 141258969
1-[2-[(Furan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 166977937
1-(3-Bromofuran-2-yl)piperazine
CID 63947992
N'-(3-bromofuran-2-yl)propane-1,3-diamine
CID 63947993
[1-(3-Bromofuran-2-yl)pyrrolidin-3-yl]methanamine
CID 63947995
1-(Furan-2-yl)piperidin-4-amine
CID 63949357

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)piperidin-4-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)piperidin-4-amine (CID 63947994) is 1-(3-bromofuran-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)piperidin-4-amine is NC1CCN(c2occc2Br)CC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)piperidin-4-amine?
The InChIKey is CNQFAFAEVMARNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-3-6-13-9(8)12-4-1-7(11)2-5-12/h3,6-7H,1-2,4-5,11H2.
What are the key properties of 1-(3-bromofuran-2-yl)piperidin-4-amine?
1-(3-bromofuran-2-yl)piperidin-4-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-4-amine is sourced from PubChem (CID 63947994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).