methyl (3S)-3-piperidin-1-ylbutanoate

C10H19NO2 — CID 93106362

IUPACmethyl (3S)-3-piperidin-1-ylbutanoate
SMILESCOC(=O)C[C@H](C)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(8-10(12)13-2)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRFKOTZLJKQYWFL-VIFPVBQESA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About methyl (3S)-3-piperidin-1-ylbutanoate

methyl (3S)-3-piperidin-1-ylbutanoate (PubChem CID 93106362) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (3S)-3-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl (3S)-3-piperidin-1-ylbutanoate
PubChem CID93106362
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (3S)-3-piperidin-1-ylbutanoate
SMILESCOC(=O)C[C@H](C)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-9(8-10(12)13-2)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRFKOTZLJKQYWFL-VIFPVBQESA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinepropanoic acid, ethyl ester
CID 88183
Methyl 3-piperidin-1-ylpropanoate
CID 566577
4-Piperidinebutyric acid, methyl ester
CID 3047641
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
1-Methylpiperidin-4-yl butanoate
CID 9815447
Methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
Methyl alpha-methyl-1-piperidinepropanoate
CID 107234
1-Piperidinepropionic acid, 2-methyl-, methyl ester, hydrochloride
CID 20833836
Methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 18187970
Methyl 2-piperidinobutanoate
CID 11435364
Methyl 3-[cyclohexyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 15564945
Ethyl 3-(1-methylpiperidin-1-ium-1-yl)propanoate iodide
CID 24189268

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-piperidin-1-ylbutanoate?
The IUPAC name of methyl (3S)-3-piperidin-1-ylbutanoate (CID 93106362) is methyl (3S)-3-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl (3S)-3-piperidin-1-ylbutanoate?
The canonical SMILES for methyl (3S)-3-piperidin-1-ylbutanoate is COC(=O)C[C@H](C)N1CCCCC1.
What is the InChIKey of methyl (3S)-3-piperidin-1-ylbutanoate?
The InChIKey is RFKOTZLJKQYWFL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(8-10(12)13-2)11-6-4-3-5-7-11/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (3S)-3-piperidin-1-ylbutanoate?
methyl (3S)-3-piperidin-1-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-piperidin-1-ylbutanoate is sourced from PubChem (CID 93106362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).