2-[(2,4-dimethoxyphenyl)methyl]piperidine

C14H21NO2 — CID 62800646

IUPAC2-[(2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-16-13-7-6-11(14(10-13)17-2)9-12-5-3-4-8-15-12/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyJMFFEMGYIRXIGG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methyl]piperidine

2-[(2,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 62800646) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]piperidine
PubChem CID62800646
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCCCN2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-16-13-7-6-11(14(10-13)17-2)9-12-5-3-4-8-15-12/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChIKeyJMFFEMGYIRXIGG-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
(2S)-2-[(3,5,6-trimethoxyphenanthren-9-yl)methyl]pyrrolidine
CID 71396682
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[[4-(difluoromethyl)-2,5-dimethoxyphenyl]methyl]piperidine
CID 117459511
2-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117459514
2-[(5-cyclohexyl-2-methoxyphenyl)methyl]piperidine
CID 117464172
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]piperidine (CID 62800646) is 2-[(2,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]piperidine is COc1ccc(CC2CCCCN2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is JMFFEMGYIRXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-13-7-6-11(14(10-13)17-2)9-12-5-3-4-8-15-12/h6-7,10,12,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]piperidine?
2-[(2,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 62800646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).