methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate

C17H25NO4 — CID 16767490

IUPACmethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H25NO4/c1-20-15-5-4-14(10-16(15)21-2)12-18-8-6-13(7-9-18)11-17(19)22-3/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyRPMCKJFDDXUSQM-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.48
Rot. Bonds6

About methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate

methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate (PubChem CID 16767490) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
PubChem CID16767490
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namemethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H25NO4/c1-20-15-5-4-14(10-16(15)21-2)12-18-8-6-13(7-9-18)11-17(19)22-3/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyRPMCKJFDDXUSQM-UHFFFAOYSA-N
XLogP2.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
N-[[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512758
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-methoxy-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 65339609
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
3-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83980735
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate (CID 16767490) is methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate?
The InChIKey is RPMCKJFDDXUSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-15-5-4-14(10-16(15)21-2)12-18-8-6-13(7-9-18)11-17(19)22-3/h4-5,10,13H,6-9,11-12H2,1-3H3.
What are the key properties of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate?
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate has a molecular weight of 307.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 16767490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).