piperidin-3-yl 2-methylpropanoate

C9H17NO2 — CID 53409773

IUPACpiperidin-3-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyMCXULDOFPGGIDU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About piperidin-3-yl 2-methylpropanoate

piperidin-3-yl 2-methylpropanoate (PubChem CID 53409773) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is piperidin-3-yl 2-methylpropanoate.

Molecular Properties

Compound Namepiperidin-3-yl 2-methylpropanoate
PubChem CID53409773
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namepiperidin-3-yl 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyMCXULDOFPGGIDU-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

(2R,3S)-2,3-dihydroxy-4-oxo-4-piperidin-3-yloxybutanoic acid
CID 134159797
cyclopropyl 2-methylpropanoate
CID 54511576
azepan-3-yl 2,2-dimethylpropanoate
CID 174683431
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
piperidin-3-yl cyclopentanecarboxylate
CID 56829579
2-methyl-3-piperidin-3-yloxypropanamide
CID 43312284
piperidin-3-yl cyclobutanecarboxylate;hydrochloride
CID 53409783
2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 66246383
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
2-[(3S)-piperidin-3-yl]oxy-N-propylpropanamide
CID 66245011

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl 2-methylpropanoate?
The IUPAC name of piperidin-3-yl 2-methylpropanoate (CID 53409773) is piperidin-3-yl 2-methylpropanoate.
What is the SMILES notation for piperidin-3-yl 2-methylpropanoate?
The canonical SMILES for piperidin-3-yl 2-methylpropanoate is CC(C)C(=O)OC1CCCNC1.
What is the InChIKey of piperidin-3-yl 2-methylpropanoate?
The InChIKey is MCXULDOFPGGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of piperidin-3-yl 2-methylpropanoate?
piperidin-3-yl 2-methylpropanoate 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 piperidin-3-yl 2-methylpropanoate is sourced from PubChem (CID 53409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).