N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine

C22H26N4O — CID 29183775

IUPACN-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc(N3CCC(NCc4ncc[nH]4)CC3)cc2)c1
InChIInChI=1S/C22H26N4O/c1-27-21-4-2-3-18(15-21)17-5-7-20(8-6-17)26-13-9-19(10-14-26)25-16-22-23-11-12-24-22/h2-8,11-12,15,19,25H,9-10,13-14,16H2,1H3,(H,23,24)
InChIKeyXDMMRDJIFRMLJI-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.84
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine

N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine (PubChem CID 29183775) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
PubChem CID29183775
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
SMILESCOc1cccc(-c2ccc(N3CCC(NCc4ncc[nH]4)CC3)cc2)c1
InChIInChI=1S/C22H26N4O/c1-27-21-4-2-3-18(15-21)17-5-7-20(8-6-17)26-13-9-19(10-14-26)25-16-22-23-11-12-24-22/h2-8,11-12,15,19,25H,9-10,13-14,16H2,1H3,(H,23,24)
InChIKeyXDMMRDJIFRMLJI-UHFFFAOYSA-N
XLogP3.84
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 31224686
(2,4-dimethoxyphenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111699
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 56799978
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
1-[4-(3-fluorophenyl)phenyl]-N-prop-2-enylpiperidin-4-amine
CID 29258609
N-(1H-imidazol-2-ylmethyl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119126160
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
CID 95047414
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine (CID 29183775) is N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine is COc1cccc(-c2ccc(N3CCC(NCc4ncc[nH]4)CC3)cc2)c1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine?
The InChIKey is XDMMRDJIFRMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-21-4-2-3-18(15-21)17-5-7-20(8-6-17)26-13-9-19(10-14-26)25-16-22-23-11-12-24-22/h2-8,11-12,15,19,25H,9-10,13-14,16H2,1H3,(H,23,24).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine?
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 29183775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).