N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine

C17H24N4O — CID 154751921

IUPACN-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(Nc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-22-13-12-20-9-6-16(7-10-20)19-15-2-4-17(5-3-15)21-11-8-18-14-21/h2-5,8,11,14,16,19H,6-7,9-10,12-13H2,1H3
InChIKeyWFLLVYYZYAKJGP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.39
Rot. Bonds6

About N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine

N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine (PubChem CID 154751921) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
PubChem CID154751921
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCN1CCC(Nc2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C17H24N4O/c1-22-13-12-20-9-6-16(7-10-20)19-15-2-4-17(5-3-15)21-11-8-18-14-21/h2-5,8,11,14,16,19H,6-7,9-10,12-13H2,1H3
InChIKeyWFLLVYYZYAKJGP-UHFFFAOYSA-N
XLogP2.39
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine (CID 154751921) is N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine is COCCN1CCC(Nc2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is WFLLVYYZYAKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-22-13-12-20-9-6-16(7-10-20)19-15-2-4-17(5-3-15)21-11-8-18-14-21/h2-5,8,11,14,16,19H,6-7,9-10,12-13H2,1H3.
What are the key properties of N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine?
N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 154751921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).