N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine

C17H24N2O — CID 28657641

IUPACN-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
SMILESc1ccc2oc(CNCCCN3CCCCC3)cc2c1
InChIInChI=1S/C17H24N2O/c1-4-10-19(11-5-1)12-6-9-18-14-16-13-15-7-2-3-8-17(15)20-16/h2-3,7-8,13,18H,1,4-6,9-12,14H2
InChIKeyBYBNQKLMVWMHCI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.40
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine

N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine (PubChem CID 28657641) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
PubChem CID28657641
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
SMILESc1ccc2oc(CNCCCN3CCCCC3)cc2c1
InChIInChI=1S/C17H24N2O/c1-4-10-19(11-5-1)12-6-9-18-14-16-13-15-7-2-3-8-17(15)20-16/h2-3,7-8,13,18H,1,4-6,9-12,14H2
InChIKeyBYBNQKLMVWMHCI-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine (CID 28657641) is N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine is c1ccc2oc(CNCCCN3CCCCC3)cc2c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
The InChIKey is BYBNQKLMVWMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-19(11-5-1)12-6-9-18-14-16-13-15-7-2-3-8-17(15)20-16/h2-3,7-8,13,18H,1,4-6,9-12,14H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine?
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 28657641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).