methyl 2-(6-methylpiperidin-3-yl)acetate

C9H17NO2 — CID 142278548

IUPACmethyl 2-(6-methylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCC(C)NC1
InChIInChI=1S/C9H17NO2/c1-7-3-4-8(6-10-7)5-9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyCZCYCWDWIBJBPX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-(6-methylpiperidin-3-yl)acetate

methyl 2-(6-methylpiperidin-3-yl)acetate (PubChem CID 142278548) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(6-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methylpiperidin-3-yl)acetate
PubChem CID142278548
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(6-methylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCC(C)NC1
InChIInChI=1S/C9H17NO2/c1-7-3-4-8(6-10-7)5-9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyCZCYCWDWIBJBPX-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
CID 97300343
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
methyl 2-(2-methylazetidin-3-yl)acetate
CID 171808682
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(6-methylpiperidin-3-yl)acetate (CID 142278548) is methyl 2-(6-methylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methylpiperidin-3-yl)acetate is COC(=O)CC1CCC(C)NC1.
What is the InChIKey of methyl 2-(6-methylpiperidin-3-yl)acetate?
The InChIKey is CZCYCWDWIBJBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-3-4-8(6-10-7)5-9(11)12-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 2-(6-methylpiperidin-3-yl)acetate?
methyl 2-(6-methylpiperidin-3-yl)acetate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 142278548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).