N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine

C17H24N4 — CID 61210084

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4/c1-14(19-16-4-3-10-20(2)12-16)15-5-7-17(8-6-15)21-11-9-18-13-21/h5-9,11,13-14,16,19H,3-4,10,12H2,1-2H3
InChIKeyUXGAFVXUUMKABR-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine (PubChem CID 61210084) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine
PubChem CID61210084
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H24N4/c1-14(19-16-4-3-10-20(2)12-16)15-5-7-17(8-6-15)21-11-9-18-13-21/h5-9,11,13-14,16,19H,3-4,10,12H2,1-2H3
InChIKeyUXGAFVXUUMKABR-UHFFFAOYSA-N
XLogP2.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215873
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
1-(4-imidazol-1-ylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584180
1-cyclopentyl-N-[1-(3-imidazol-1-ylphenyl)ethyl]piperidin-4-amine
CID 154750461
tert-butyl (3R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 25350437
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(4-imidazol-1-ylphenyl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 84588121
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine (CID 61210084) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine is CC(NC1CCCN(C)C1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine?
The InChIKey is UXGAFVXUUMKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(19-16-4-3-10-20(2)12-16)15-5-7-17(8-6-15)21-11-9-18-13-21/h5-9,11,13-14,16,19H,3-4,10,12H2,1-2H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).