N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine

C19H28N4O — CID 82559740

IUPACN-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1-c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C19H28N4O/c1-20-10-5-12-23-15-11-21-19(23)17-6-3-4-7-18(17)24-16-8-13-22(2)14-9-16/h3-4,6-7,11,15-16,20H,5,8-10,12-14H2,1-2H3
InChIKeyXPSFFPXMYIUREA-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.63
Rot. Bonds7

About N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine

N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine (PubChem CID 82559740) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine
PubChem CID82559740
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1-c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C19H28N4O/c1-20-10-5-12-23-15-11-21-19(23)17-6-3-4-7-18(17)24-16-8-13-22(2)14-9-16/h3-4,6-7,11,15-16,20H,5,8-10,12-14H2,1-2H3
InChIKeyXPSFFPXMYIUREA-UHFFFAOYSA-N
XLogP2.63
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine (CID 82559740) is N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine is CNCCCn1ccnc1-c1ccccc1OC1CCN(C)CC1.
What is the InChIKey of N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine?
The InChIKey is XPSFFPXMYIUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-20-10-5-12-23-15-11-21-19(23)17-6-3-4-7-18(17)24-16-8-13-22(2)14-9-16/h3-4,6-7,11,15-16,20H,5,8-10,12-14H2,1-2H3.
What are the key properties of N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine?
N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82559740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).