1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine

C20H29N3O — CID 74244251

IUPAC1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cn3ccnc3C)CC2)c(C)c1C
InChIInChI=1S/C20H29N3O/c1-15-16(2)20(24-4)6-5-19(15)14-22-10-7-18(8-11-22)13-23-12-9-21-17(23)3/h5-6,9,12,18H,7-8,10-11,13-14H2,1-4H3
InChIKeyOHHJCUAEFYULCF-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.73
Rot. Bonds5

About 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine

1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine (PubChem CID 74244251) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
PubChem CID74244251
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(Cn3ccnc3C)CC2)c(C)c1C
InChIInChI=1S/C20H29N3O/c1-15-16(2)20(24-4)6-5-19(15)14-22-10-7-18(8-11-22)13-23-12-9-21-17(23)3/h5-6,9,12,18H,7-8,10-11,13-14H2,1-4H3
InChIKeyOHHJCUAEFYULCF-UHFFFAOYSA-N
XLogP3.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494656
N-[[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide
CID 131910672
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 70727403
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91842285
4-[(2-methylimidazol-1-yl)methyl]-1-(3,3,3-trifluoro-2-methylpropyl)piperidine
CID 77084505
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine (CID 74244251) is 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine is COc1ccc(CN2CCC(Cn3ccnc3C)CC2)c(C)c1C.
What is the InChIKey of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
The InChIKey is OHHJCUAEFYULCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15-16(2)20(24-4)6-5-19(15)14-22-10-7-18(8-11-22)13-23-12-9-21-17(23)3/h5-6,9,12,18H,7-8,10-11,13-14H2,1-4H3.
What are the key properties of 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine?
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 74244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).