methyl 3-piperidin-1-ylpropanoate

C9H17NO2 — CID 566577

IUPACmethyl 3-piperidin-1-ylpropanoate
SMILESCOC(=O)CCN1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3
InChIKeyANAJGIRVGQSWEN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About methyl 3-piperidin-1-ylpropanoate

methyl 3-piperidin-1-ylpropanoate (PubChem CID 566577) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-1-ylpropanoate
PubChem CID566577
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 3-piperidin-1-ylpropanoate
SMILESCOC(=O)CCN1CCCCC1
InChIInChI=1S/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3
InChIKeyANAJGIRVGQSWEN-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinepropanoic acid, ethyl ester
CID 88183
Methyl 3-(diethylamino)propanoate
CID 219165
1-Piperidinepropanoic acid, 3-methyl-, ethyl ester
CID 116670
MP-4P C-11
CID 6540307
3-(Piperidin-1-yl)propyl 2,2-dimethylpropanoate--hydrogen chloride (1/1)
CID 217272
4-Piperidinebutyric acid, methyl ester
CID 3047641
1-(3-Methoxypropyl)-4-piperidinone
CID 18002008
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
Ethyl 3-(4-oxopiperidin-1-yl)propanoate
CID 11984242
N-methylpiperidin-4-yl propionate
CID 133349
1-Methylpiperidin-4-yl butanoate
CID 9815447
Methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-1-ylpropanoate?
The IUPAC name of methyl 3-piperidin-1-ylpropanoate (CID 566577) is methyl 3-piperidin-1-ylpropanoate.
What is the SMILES notation for methyl 3-piperidin-1-ylpropanoate?
The canonical SMILES for methyl 3-piperidin-1-ylpropanoate is COC(=O)CCN1CCCCC1.
What is the InChIKey of methyl 3-piperidin-1-ylpropanoate?
The InChIKey is ANAJGIRVGQSWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3.
What are the key properties of methyl 3-piperidin-1-ylpropanoate?
methyl 3-piperidin-1-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).