methyl 3-piperidin-3-ylpropanoate

C9H17NO2 — CID 16767465

IUPACmethyl 3-piperidin-3-ylpropanoate
SMILESCOC(=O)CCC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3
InChIKeyVJCAJSGDZGKOBU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About methyl 3-piperidin-3-ylpropanoate

methyl 3-piperidin-3-ylpropanoate (PubChem CID 16767465) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-3-ylpropanoate
PubChem CID16767465
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 3-piperidin-3-ylpropanoate
SMILESCOC(=O)CCC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3
InChIKeyVJCAJSGDZGKOBU-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 4-piperidineacetate
CID 1515259
Ethyl 2-(piperidin-4-yl)acetate
CID 2760465
Methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
CID 73356690
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
Methyl (piperidin-4-yl)acetate--hydrogen chloride (1/1)
CID 18423605
methyl 2-((3R)-piperidin-3-yl)acetate hydrochloride
CID 45073967
Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
Methyl 3-(piperidin-4-yl)propanoate hydrochloride
CID 49761244
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
Methyl 4-(piperidin-4-yl)butanoate hydrochloride
CID 66672062
Methyl 6-ethylpiperidine-3-carboxylate
CID 67033324
Ethyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 71756985

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-3-ylpropanoate?
The IUPAC name of methyl 3-piperidin-3-ylpropanoate (CID 16767465) is methyl 3-piperidin-3-ylpropanoate.
What is the SMILES notation for methyl 3-piperidin-3-ylpropanoate?
The canonical SMILES for methyl 3-piperidin-3-ylpropanoate is COC(=O)CCC1CCCNC1.
What is the InChIKey of methyl 3-piperidin-3-ylpropanoate?
The InChIKey is VJCAJSGDZGKOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-piperidin-3-ylpropanoate?
methyl 3-piperidin-3-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-3-ylpropanoate is sourced from PubChem (CID 16767465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).