2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine

C14H18N2O — CID 117172221

IUPAC2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine
SMILESNc1cccc2oc(CN3CCCCC3)cc12
InChIInChI=1S/C14H18N2O/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,15H2
InChIKeyIHDIHSUXQMIKIY-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.00
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine

2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine (PubChem CID 117172221) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine
PubChem CID117172221
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine
SMILESNc1cccc2oc(CN3CCCCC3)cc12
InChIInChI=1S/C14H18N2O/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,15H2
InChIKeyIHDIHSUXQMIKIY-UHFFFAOYSA-N
XLogP3.00
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-4-carboxamide
CID 175527345
1-[(4-bromo-1-benzofuran-2-yl)methyl]-4-methylpiperazine
CID 117172246
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
1-[(7-chloro-1-benzofuran-2-yl)methyl]azepane
CID 117182733
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
1-[(7-bromo-1-benzofuran-2-yl)methyl]azepane
CID 117182734
5-(pyrrolidin-1-ylmethyl)furan-2-amine
CID 83619164
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
4-amino-3-(piperidin-1-ylmethyl)chromen-2-one
CID 2754629
2-(azepan-1-ylmethyl)-1-benzofuran-6-ol
CID 117179274
2-(piperidin-1-ylmethyl)-1H-benzimidazol-4-amine;trihydrochloride
CID 17336814
3-(azepan-1-ylmethyl)aniline
CID 6484183

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine (CID 117172221) is 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine is Nc1cccc2oc(CN3CCCCC3)cc12.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine?
The InChIKey is IHDIHSUXQMIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-13-5-4-6-14-12(13)9-11(17-14)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10,15H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine?
2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine has a molecular weight of 230.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-1-benzofuran-4-amine is sourced from PubChem (CID 117172221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).