1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

C25H34N4O — CID 56701591

IUPAC1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCOc1ccccc1CCN1CCC(CN(C)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C25H34N4O/c1-27(19-25-26-22-9-5-6-10-23(22)28(25)2)18-20-12-15-29(16-13-20)17-14-21-8-4-7-11-24(21)30-3/h4-11,20H,12-19H2,1-3H3
InChIKeyADARXOBYNRIPBP-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.97
Rot. Bonds8

About 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (PubChem CID 56701591) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
PubChem CID56701591
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCOc1ccccc1CCN1CCC(CN(C)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C25H34N4O/c1-27(19-25-26-22-9-5-6-10-23(22)28(25)2)18-20-12-15-29(16-13-20)17-14-21-8-4-7-11-24(21)30-3/h4-11,20H,12-19H2,1-3H3
InChIKeyADARXOBYNRIPBP-UHFFFAOYSA-N
XLogP3.97
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
(2R)-3-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]propane-1,2-diol
CID 42310496
1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
(E)-3-(furan-2-yl)-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylprop-2-en-1-amine
CID 26327390
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 102222312
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
4-[[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 26406188
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25379592
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (CID 56701591) is 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is COc1ccccc1CCN1CCC(CN(C)Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The InChIKey is ADARXOBYNRIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-27(19-25-26-22-9-5-6-10-23(22)28(25)2)18-20-12-15-29(16-13-20)17-14-21-8-4-7-11-24(21)30-3/h4-11,20H,12-19H2,1-3H3.
What are the key properties of 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine has a molecular weight of 406.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 56701591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).