1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine

C18H24N2O — CID 115307025

IUPAC1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc2c(CN3CCC(NCC4CC4)CC3)coc2c1
InChIInChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20-9-7-16(8-10-20)19-11-14-5-6-14/h1-4,13-14,16,19H,5-12H2
InChIKeyNTNBULLUEXIRBM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.40
Rot. Bonds5

About 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine

1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 115307025) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID115307025
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc2c(CN3CCC(NCC4CC4)CC3)coc2c1
InChIInChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20-9-7-16(8-10-20)19-11-14-5-6-14/h1-4,13-14,16,19H,5-12H2
InChIKeyNTNBULLUEXIRBM-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine (CID 115307025) is 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine is c1ccc2c(CN3CCC(NCC4CC4)CC3)coc2c1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is NTNBULLUEXIRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-4-18-17(3-1)15(13-21-18)12-20-9-7-16(8-10-20)19-11-14-5-6-14/h1-4,13-14,16,19H,5-12H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine?
1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 284.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 115307025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).