2-piperidin-4-ylpropan-2-yl propanoate

C11H21NO2 — CID 155605403

IUPAC2-piperidin-4-ylpropan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C11H21NO2/c1-4-10(13)14-11(2,3)9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyGRSGEKQSSOGZCS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl propanoate

2-piperidin-4-ylpropan-2-yl propanoate (PubChem CID 155605403) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl propanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl propanoate
PubChem CID155605403
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-piperidin-4-ylpropan-2-yl propanoate
SMILESCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C11H21NO2/c1-4-10(13)14-11(2,3)9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3
InChIKeyGRSGEKQSSOGZCS-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-ylpropan-2-yl 2-sulfanylacetate
CID 168757919
2-piperidin-4-ylpropan-2-yl 3,3-difluorobutanoate
CID 157326852
2-piperidin-4-ylpropan-2-yl (Z)-hex-3-enoate
CID 155075694
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
2-piperidin-4-ylpropan-2-yl 3-[3-oxo-3-(2-piperidin-4-ylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 155075563
bis(2-piperidin-4-ylpropan-2-yl) cyclohexane-1,4-dicarboxylate
CID 155075621
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
bis(2-piperidin-4-ylpropan-2-yl) 2,2-dimethylpentanedioate
CID 155075566
1-O-tert-butyl 12-O-(2-piperidin-4-ylpropan-2-yl) dodecanedioate
CID 155075819
2-piperidin-4-ylpropan-2-yl 6-bromohexanoate
CID 155605241
2-piperidin-4-ylpropan-2-yl 3,3,4,4,5,5,6,6,6-nonafluorohexanoate
CID 170252631
2-piperidin-4-ylpropan-2-yl 2,2,2-tribromoacetate
CID 155605248

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl propanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl propanoate (CID 155605403) is 2-piperidin-4-ylpropan-2-yl propanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl propanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl propanoate is CCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl propanoate?
The InChIKey is GRSGEKQSSOGZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10(13)14-11(2,3)9-5-7-12-8-6-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl propanoate?
2-piperidin-4-ylpropan-2-yl propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl propanoate is sourced from PubChem (CID 155605403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).