1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine

C21H32N4O — CID 131892843

IUPAC1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(NCCCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H32N4O/c1-17(2)21-23-11-15-25(21)12-5-10-22-18-8-13-24(14-9-18)19-6-4-7-20(16-19)26-3/h4,6-7,11,15-18,22H,5,8-10,12-14H2,1-3H3
InChIKeyIKGNGVBMRFFIAF-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.66
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine

1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine (PubChem CID 131892843) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
PubChem CID131892843
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
SMILESCOc1cccc(N2CCC(NCCCn3ccnc3C(C)C)CC2)c1
InChIInChI=1S/C21H32N4O/c1-17(2)21-23-11-15-25(21)12-5-10-22-18-8-13-24(14-9-18)19-6-4-7-20(16-19)26-3/h4,6-7,11,15-18,22H,5,8-10,12-14H2,1-3H3
InChIKeyIKGNGVBMRFFIAF-UHFFFAOYSA-N
XLogP3.66
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.66
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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Related Compounds

N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N-[1-(3-methoxyphenyl)piperidin-4-yl]-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 138996085
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
3-methoxy-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrazin-2-amine
CID 134713687
1-[3-(cyclohexylamino)propyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55770196
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
1-(3-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanone
CID 43797792
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine
CID 131901463

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine (CID 131892843) is 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine is COc1cccc(N2CCC(NCCCn3ccnc3C(C)C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine?
The InChIKey is IKGNGVBMRFFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-17(2)21-23-11-15-25(21)12-5-10-22-18-8-13-24(14-9-18)19-6-4-7-20(16-19)26-3/h4,6-7,11,15-18,22H,5,8-10,12-14H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine?
1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine has a molecular weight of 356.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 131892843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).