N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine

C21H25FN4 — CID 146046736

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCN(CCn1cnc2ccccc21)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4/c1-24(14-15-26-16-23-19-7-3-5-9-21(19)26)17-10-12-25(13-11-17)20-8-4-2-6-18(20)22/h2-9,16-17H,10-15H2,1H3
InChIKeySPOTWVWYCGQMNJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine

N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine (PubChem CID 146046736) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine
PubChem CID146046736
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCN(CCn1cnc2ccccc21)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4/c1-24(14-15-26-16-23-19-7-3-5-9-21(19)26)17-10-12-25(13-11-17)20-8-4-2-6-18(20)22/h2-9,16-17H,10-15H2,1H3
InChIKeySPOTWVWYCGQMNJ-UHFFFAOYSA-N
XLogP3.78
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine (CID 146046736) is N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine is CN(CCn1cnc2ccccc21)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine?
The InChIKey is SPOTWVWYCGQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-24(14-15-26-16-23-19-7-3-5-9-21(19)26)17-10-12-25(13-11-17)20-8-4-2-6-18(20)22/h2-9,16-17H,10-15H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine?
N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine has a molecular weight of 352.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 146046736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).