methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate

C17H25NO2 — CID 115462531

IUPACmethyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1C(C)CCCC1C
InChIInChI=1S/C17H25NO2/c1-13-7-6-8-14(2)18(13)12-16-10-5-4-9-15(16)11-17(19)20-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3
InChIKeyXXHJVACZINVFPO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds4

About methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate

methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate (PubChem CID 115462531) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
PubChem CID115462531
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN1C(C)CCCC1C
InChIInChI=1S/C17H25NO2/c1-13-7-6-8-14(2)18(13)12-16-10-5-4-9-15(16)11-17(19)20-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3
InChIKeyXXHJVACZINVFPO-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[(3-methylcyclohexyl)amino]methyl]phenyl]acetate
CID 115461590
methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
CID 115462069
methyl 2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]acetate
CID 115460772
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
methyl 2-[2-[(5-methyl-2-oxoazepan-1-yl)methyl]phenyl]acetate
CID 115461206
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
methyl 2-[2-[(2,3-dimethylthiomorpholin-4-yl)methyl]phenyl]acetate
CID 115756205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate (CID 115462531) is methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN1C(C)CCCC1C.
What is the InChIKey of methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate?
The InChIKey is XXHJVACZINVFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-6-8-14(2)18(13)12-16-10-5-4-9-15(16)11-17(19)20-3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3.
What are the key properties of methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate?
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate has a molecular weight of 275.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate is sourced from PubChem (CID 115462531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).