1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine

C22H26N2O2 — CID 55684158

IUPAC1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
SMILESCOc1cccc2cc(CNC3CCCN(Cc4ccccc4)C3)oc12
InChIInChI=1S/C22H26N2O2/c1-25-21-11-5-9-18-13-20(26-22(18)21)14-23-19-10-6-12-24(16-19)15-17-7-3-2-4-8-17/h2-5,7-9,11,13,19,23H,6,10,12,14-16H2,1H3
InChIKeyVABKKHADAGGFGB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.20
Rot. Bonds6

About 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine

1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine (PubChem CID 55684158) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
PubChem CID55684158
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
SMILESCOc1cccc2cc(CNC3CCCN(Cc4ccccc4)C3)oc12
InChIInChI=1S/C22H26N2O2/c1-25-21-11-5-9-18-13-20(26-22(18)21)14-23-19-10-6-12-24(16-19)15-17-7-3-2-4-8-17/h2-5,7-9,11,13,19,23H,6,10,12,14-16H2,1H3
InChIKeyVABKKHADAGGFGB-UHFFFAOYSA-N
XLogP4.20
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
CID 30618496
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
methyl (3R)-3-[(7-methoxy-1-benzofuran-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 95352052
2-[(cyclobutylamino)methyl]-1-benzofuran-7-ol
CID 117182713
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine (CID 55684158) is 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine is COc1cccc2cc(CNC3CCCN(Cc4ccccc4)C3)oc12.
What is the InChIKey of 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine?
The InChIKey is VABKKHADAGGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-21-11-5-9-18-13-20(26-22(18)21)14-23-19-10-6-12-24(16-19)15-17-7-3-2-4-8-17/h2-5,7-9,11,13,19,23H,6,10,12,14-16H2,1H3.
What are the key properties of 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine?
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine has a molecular weight of 350.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 55684158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).