N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

C21H25N3O — CID 50983077

IUPACN-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccncc2)Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C21H25N3O/c1-23-12-8-19(9-13-23)24(15-17-6-10-22-11-7-17)16-20-14-18-4-2-3-5-21(18)25-20/h2-7,10-11,14,19H,8-9,12-13,15-16H2,1H3
InChIKeySGWMBFDMXJFTAZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.92
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine

N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (PubChem CID 50983077) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
PubChem CID50983077
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(Cc2ccncc2)Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C21H25N3O/c1-23-12-8-19(9-13-23)24(15-17-6-10-22-11-7-17)16-20-14-18-4-2-3-5-21(18)25-20/h2-7,10-11,14,19H,8-9,12-13,15-16H2,1H3
InChIKeySGWMBFDMXJFTAZ-UHFFFAOYSA-N
XLogP3.92
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine (CID 50983077) is N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is CN1CCC(N(Cc2ccncc2)Cc2cc3ccccc3o2)CC1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
The InChIKey is SGWMBFDMXJFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-12-8-19(9-13-23)24(15-17-6-10-22-11-7-17)16-20-14-18-4-2-3-5-21(18)25-20/h2-7,10-11,14,19H,8-9,12-13,15-16H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine?
N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine has a molecular weight of 335.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 50983077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).