methyl 2-piperidin-2-ylacetate

C8H15NO2 — CID 5214606

IUPACmethyl 2-piperidin-2-ylacetate
SMILESCOC(=O)CC1CCCCN1
InChIInChI=1S/C8H15NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyKNLRJTRKAHPHEE-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-piperidin-2-ylacetate

methyl 2-piperidin-2-ylacetate (PubChem CID 5214606) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-piperidin-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-piperidin-2-ylacetate
PubChem CID5214606
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-piperidin-2-ylacetate
SMILESCOC(=O)CC1CCCCN1
InChIInChI=1S/C8H15NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyKNLRJTRKAHPHEE-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-2-yl)acetic acid
CID 3164325
rac-2,6-dimethyl (2R,6S)-piperidine-2,6-dicarboxylate
CID 10679562
2-(Piperidin-2-yl)acetic acid hydrochloride
CID 12514712
Methyl 2-(piperidin-2-yl)acetate hydrochloride
CID 13778732
Methyl2-(6-oxopiperidin-2-yl)acetate
CID 14587552
2-((2S)-piperidin-2-yl)acetic acid hydrochloride
CID 118235722
(S)-2-(Piperidin-2-yl)acetic acid
CID 854351
Ethyl piperidin-2-ylacetate
CID 436981
dimethyl (2S,6S)-piperidine-2,6-dicarboxylate
CID 44312686
Tert-butyl 2-(piperidin-2-yl)acetate
CID 21600570
methyl 2-[(2S)-piperidin-2-yl]acetate hydrochloride
CID 45074516
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-2-ylacetate?
The IUPAC name of methyl 2-piperidin-2-ylacetate (CID 5214606) is methyl 2-piperidin-2-ylacetate.
What is the SMILES notation for methyl 2-piperidin-2-ylacetate?
The canonical SMILES for methyl 2-piperidin-2-ylacetate is COC(=O)CC1CCCCN1.
What is the InChIKey of methyl 2-piperidin-2-ylacetate?
The InChIKey is KNLRJTRKAHPHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 2-piperidin-2-ylacetate?
methyl 2-piperidin-2-ylacetate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-2-ylacetate is sourced from PubChem (CID 5214606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).