propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate

C14H27NO3 — CID 111488180

IUPACpropan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
SMILESCCC(O)C1CCCCN1CCC(=O)OC(C)C
InChIInChI=1S/C14H27NO3/c1-4-13(16)12-7-5-6-9-15(12)10-8-14(17)18-11(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyZHLBHXWDZPSYQM-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.95
Rot. Bonds6

About propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate

propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate (PubChem CID 111488180) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
PubChem CID111488180
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namepropan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
SMILESCCC(O)C1CCCCN1CCC(=O)OC(C)C
InChIInChI=1S/C14H27NO3/c1-4-13(16)12-7-5-6-9-15(12)10-8-14(17)18-11(2)3/h11-13,16H,4-10H2,1-3H3
InChIKeyZHLBHXWDZPSYQM-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate
CID 111487463
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
CID 111462660
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 95331656
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107084
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate?
The IUPAC name of propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate (CID 111488180) is propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate is CCC(O)C1CCCCN1CCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate?
The InChIKey is ZHLBHXWDZPSYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-13(16)12-7-5-6-9-15(12)10-8-14(17)18-11(2)3/h11-13,16H,4-10H2,1-3H3.
What are the key properties of propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate?
propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate has a molecular weight of 257.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 111488180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).