piperidin-4-yl 2-methylbutanoate

C10H19NO2 — CID 18987401

IUPACpiperidin-4-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-3-8(2)10(12)13-9-4-6-11-7-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyHQWTYCSAVHDRAU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About piperidin-4-yl 2-methylbutanoate

piperidin-4-yl 2-methylbutanoate (PubChem CID 18987401) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is piperidin-4-yl 2-methylbutanoate.

Molecular Properties

Compound Namepiperidin-4-yl 2-methylbutanoate
PubChem CID18987401
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepiperidin-4-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-3-8(2)10(12)13-9-4-6-11-7-5-9/h8-9,11H,3-7H2,1-2H3
InChIKeyHQWTYCSAVHDRAU-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-methylbutanoate?
The IUPAC name of piperidin-4-yl 2-methylbutanoate (CID 18987401) is piperidin-4-yl 2-methylbutanoate.
What is the SMILES notation for piperidin-4-yl 2-methylbutanoate?
The canonical SMILES for piperidin-4-yl 2-methylbutanoate is CCC(C)C(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl 2-methylbutanoate?
The InChIKey is HQWTYCSAVHDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(2)10(12)13-9-4-6-11-7-5-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of piperidin-4-yl 2-methylbutanoate?
piperidin-4-yl 2-methylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-methylbutanoate is sourced from PubChem (CID 18987401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).