N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine

C19H27FN4 — CID 45233927

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H27FN4/c1-3-24-12-10-21-19(24)15-22(2)17-8-6-11-23(14-17)13-16-7-4-5-9-18(16)20/h4-5,7,9-10,12,17H,3,6,8,11,13-15H2,1-2H3
InChIKeyCHYHXNVGQHSKEH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.14
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine

N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 45233927) has the molecular formula C19H27FN4 and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID45233927
Molecular FormulaC19H27FN4
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine
SMILESCCn1ccnc1CN(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H27FN4/c1-3-24-12-10-21-19(24)15-22(2)17-8-6-11-23(14-17)13-16-7-4-5-9-18(16)20/h4-5,7,9-10,12,17H,3,6,8,11,13-15H2,1-2H3
InChIKeyCHYHXNVGQHSKEH-UHFFFAOYSA-N
XLogP3.14
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine (CID 45233927) is N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine is CCn1ccnc1CN(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is CHYHXNVGQHSKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4/c1-3-24-12-10-21-19(24)15-22(2)17-8-6-11-23(14-17)13-16-7-4-5-9-18(16)20/h4-5,7,9-10,12,17H,3,6,8,11,13-15H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine?
N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 330.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 45233927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).