methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate

C17H25NO2 — CID 62026011

IUPACmethyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H25NO2/c1-13-8-14(2)10-15(9-13)12-18-7-5-4-6-16(18)11-17(19)20-3/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeyNZWRYABPCJKSGL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate

methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate (PubChem CID 62026011) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
PubChem CID62026011
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H25NO2/c1-13-8-14(2)10-15(9-13)12-18-7-5-4-6-16(18)11-17(19)20-3/h8-10,16H,4-7,11-12H2,1-3H3
InChIKeyNZWRYABPCJKSGL-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
CID 60685146
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
methyl 2-[1-[(4-cyano-2-methylphenyl)methyl]piperidin-2-yl]acetate
CID 114485226
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate (CID 62026011) is methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1Cc1cc(C)cc(C)c1.
What is the InChIKey of methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate?
The InChIKey is NZWRYABPCJKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-8-14(2)10-15(9-13)12-18-7-5-4-6-16(18)11-17(19)20-3/h8-10,16H,4-7,11-12H2,1-3H3.
What are the key properties of methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 62026011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).