2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine

C23H32N2O — CID 46977037

IUPAC2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccccc1-c1ccc(CN2CCCCC2CCN(C)C)cc1
InChIInChI=1S/C23H32N2O/c1-24(2)17-15-21-8-6-7-16-25(21)18-19-11-13-20(14-12-19)22-9-4-5-10-23(22)26-3/h4-5,9-14,21H,6-8,15-18H2,1-3H3
InChIKeyFLOODVYEHXMNQL-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.67
Rot. Bonds7

About 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine

2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine (PubChem CID 46977037) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
PubChem CID46977037
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
SMILESCOc1ccccc1-c1ccc(CN2CCCCC2CCN(C)C)cc1
InChIInChI=1S/C23H32N2O/c1-24(2)17-15-21-8-6-7-16-25(21)18-19-11-13-20(14-12-19)22-9-4-5-10-23(22)26-3/h4-5,9-14,21H,6-8,15-18H2,1-3H3
InChIKeyFLOODVYEHXMNQL-UHFFFAOYSA-N
XLogP4.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134796455
2-[(2R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 95873253
2-[(2R)-1-(1H-indol-5-ylmethyl)piperidin-2-yl]-N,N-dimethylethanamine
CID 95860953
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
CID 82215107
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
CID 91315715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine (CID 46977037) is 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine is COc1ccccc1-c1ccc(CN2CCCCC2CCN(C)C)cc1.
What is the InChIKey of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is FLOODVYEHXMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-24(2)17-15-21-8-6-7-16-25(21)18-19-11-13-20(14-12-19)22-9-4-5-10-23(22)26-3/h4-5,9-14,21H,6-8,15-18H2,1-3H3.
What are the key properties of 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine?
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 352.52 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46977037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).