1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine

C23H25BrN2O — CID 17159324

IUPAC1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESBrc1ccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H25BrN2O/c24-20-8-6-19(7-9-20)23-11-10-22(27-23)16-25-21-12-14-26(15-13-21)17-18-4-2-1-3-5-18/h1-11,21,25H,12-17H2
InChIKeyVDWSBJJXNMNLLM-UHFFFAOYSA-N
MW425.37 g/mol
LogP5.46
Rot. Bonds6

About 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine

1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine (PubChem CID 17159324) has the molecular formula C23H25BrN2O and a molecular weight of 425.37 g/mol. Its IUPAC name is 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
PubChem CID17159324
Molecular FormulaC23H25BrN2O
Molecular Weight425.37 g/mol
Exact Mass424.12
IUPAC Name1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
SMILESBrc1ccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C23H25BrN2O/c24-20-8-6-19(7-9-20)23-11-10-22(27-23)16-25-21-12-14-26(15-13-21)17-18-4-2-1-3-5-18/h1-11,21,25H,12-17H2
InChIKeyVDWSBJJXNMNLLM-UHFFFAOYSA-N
XLogP5.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159428
1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 17159461
1-benzyl-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159468
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
(4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)furan-2-yl]methanethione
CID 16957246
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 58788218
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine (CID 17159324) is 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine is Brc1ccc(-c2ccc(CNC3CCN(Cc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is VDWSBJJXNMNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O/c24-20-8-6-19(7-9-20)23-11-10-22(27-23)16-25-21-12-14-26(15-13-21)17-18-4-2-1-3-5-18/h1-11,21,25H,12-17H2.
What are the key properties of 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 425.37 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 17159324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).