ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate

C14H27NO3 — CID 54149332

IUPACethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCC(C(C)CO)CC1
InChIInChI=1S/C14H27NO3/c1-3-18-14(17)5-4-8-15-9-6-13(7-10-15)12(2)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyOGQLMZOAOUWBMC-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.67
Rot. Bonds7

About ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate

ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate (PubChem CID 54149332) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate
PubChem CID54149332
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCC(C(C)CO)CC1
InChIInChI=1S/C14H27NO3/c1-3-18-14(17)5-4-8-15-9-6-13(7-10-15)12(2)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyOGQLMZOAOUWBMC-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate (CID 54149332) is ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate is CCOC(=O)CCCN1CCC(C(C)CO)CC1.
What is the InChIKey of ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate?
The InChIKey is OGQLMZOAOUWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-18-14(17)5-4-8-15-9-6-13(7-10-15)12(2)11-16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate?
ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate has a molecular weight of 257.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate is sourced from PubChem (CID 54149332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).