N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

C13H21ClN2O — CID 61241616

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2ccc(Cl)o2)CC1
InChIInChI=1S/C13H21ClN2O/c1-11-4-7-16(8-5-11)9-6-15-10-12-2-3-13(14)17-12/h2-3,11,15H,4-10H2,1H3
InChIKeyGZQOWRMTJYBUFE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.75
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine

N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 61241616) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID61241616
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2ccc(Cl)o2)CC1
InChIInChI=1S/C13H21ClN2O/c1-11-4-7-16(8-5-11)9-6-15-10-12-2-3-13(14)17-12/h2-3,11,15H,4-10H2,1H3
InChIKeyGZQOWRMTJYBUFE-UHFFFAOYSA-N
XLogP2.75
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.75
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-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine (CID 61241616) is N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2ccc(Cl)o2)CC1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is GZQOWRMTJYBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-11-4-7-16(8-5-11)9-6-15-10-12-2-3-13(14)17-12/h2-3,11,15H,4-10H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine?
N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 256.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 61241616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).