methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate

C16H23NO3 — CID 62028081

IUPACmethyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-19-15-8-5-6-13(10-15)12-17-9-4-3-7-14(17)11-16(18)20-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3
InChIKeyVKDQNFSEQYZELS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate

methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate (PubChem CID 62028081) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
PubChem CID62028081
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1cccc(OC)c1
InChIInChI=1S/C16H23NO3/c1-19-15-8-5-6-13(10-15)12-17-9-4-3-7-14(17)11-16(18)20-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3
InChIKeyVKDQNFSEQYZELS-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
1-ethyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-2-carboxamide
CID 154794249
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate (CID 62028081) is methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1Cc1cccc(OC)c1.
What is the InChIKey of methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate?
The InChIKey is VKDQNFSEQYZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-15-8-5-6-13(10-15)12-17-9-4-3-7-14(17)11-16(18)20-2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate has a molecular weight of 277.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62028081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).