1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine

C20H30N4O — CID 56705944

IUPAC1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(NC(c3nccn3C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-15(2)19(20-21-11-14-23(20)3)22-16-9-12-24(13-10-16)17-5-7-18(25-4)8-6-17/h5-8,11,14-16,19,22H,9-10,12-13H2,1-4H3
InChIKeyWMUYJAOADXYIIY-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.38
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine

1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine (PubChem CID 56705944) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine
PubChem CID56705944
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine
SMILESCOc1ccc(N2CCC(NC(c3nccn3C)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-15(2)19(20-21-11-14-23(20)3)22-16-9-12-24(13-10-16)17-5-7-18(25-4)8-6-17/h5-8,11,14-16,19,22H,9-10,12-13H2,1-4H3
InChIKeyWMUYJAOADXYIIY-UHFFFAOYSA-N
XLogP3.38
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-imidazol-1-yl-N-[1-(4-methoxyphenyl)piperidin-4-yl]propanamide
CID 95291018
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,4-dithiepan-6-amine
CID 95222175
1-(4-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)piperidin-4-amine
CID 131948668
4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 133314091
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine (CID 56705944) is 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine is COc1ccc(N2CCC(NC(c3nccn3C)C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine?
The InChIKey is WMUYJAOADXYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15(2)19(20-21-11-14-23(20)3)22-16-9-12-24(13-10-16)17-5-7-18(25-4)8-6-17/h5-8,11,14-16,19,22H,9-10,12-13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine?
1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 56705944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).