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

C12H23NO3 — CID 111487463

IUPACpropan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate
SMILESCC(C)OC(=O)CCN1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-10(2)16-12(15)6-8-13-7-4-3-5-11(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyNHBSPSAHHVEZMM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds5

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

propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate (PubChem CID 111487463) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate
PubChem CID111487463
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namepropan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate
SMILESCC(C)OC(=O)CCN1CCCCC1CO
InChIInChI=1S/C12H23NO3/c1-10(2)16-12(15)6-8-13-7-4-3-5-11(13)9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyNHBSPSAHHVEZMM-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
CID 111488180
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
3-[2-(aminomethyl)azepan-1-yl]-N-propan-2-ylpropanamide
CID 116640520
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
N-carbamoyl-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78942125

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate?
The IUPAC name of propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate (CID 111487463) is propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate is CC(C)OC(=O)CCN1CCCCC1CO.
What is the InChIKey of propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate?
The InChIKey is NHBSPSAHHVEZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)16-12(15)6-8-13-7-4-3-5-11(13)9-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate?
propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 5 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-(hydroxymethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 111487463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).