N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine

C17H22N2O — CID 17155096

IUPACN-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-2-4-15(5-3-1)17-7-6-16(20-17)13-19-12-14-8-10-18-11-9-14/h1-7,14,18-19H,8-13H2
InChIKeySWZBGLPNJVKLSU-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds5

About N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine

N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 17155096) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID17155096
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1
InChIInChI=1S/C17H22N2O/c1-2-4-15(5-3-1)17-7-6-16(20-17)13-19-12-14-8-10-18-11-9-14/h1-7,14,18-19H,8-13H2
InChIKeySWZBGLPNJVKLSU-UHFFFAOYSA-N
XLogP3.04
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine (CID 17155096) is N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine is c1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1.
What is the InChIKey of N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is SWZBGLPNJVKLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-4-15(5-3-1)17-7-6-16(20-17)13-19-12-14-8-10-18-11-9-14/h1-7,14,18-19H,8-13H2.
What are the key properties of N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine?
N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 17155096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).