butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate

C12H23NO3 — CID 80702994

IUPACbutyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-4-9-16-11(14)10-13-7-5-12(2,15)6-8-13/h15H,3-10H2,1-2H3
InChIKeySSTRVNDDODMGSG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.18
Rot. Bonds5

About butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate

butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate (PubChem CID 80702994) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
PubChem CID80702994
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namebutyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-3-4-9-16-11(14)10-13-7-5-12(2,15)6-8-13/h15H,3-10H2,1-2H3
InChIKeySSTRVNDDODMGSG-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
butyl 2-(3,3,4-trimethylpiperazin-1-yl)acetate
CID 63610425
butyl 2-(4-cyclopentylpiperazin-1-yl)acetate
CID 55024857
butyl 2-(3,3-difluoroazetidin-1-yl)acetate
CID 71244409
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
CID 62775211
butyl 2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetate
CID 134055061
butyl 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetate
CID 86869708
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
pentyl 2-(1,4-diazepan-1-yl)acetate
CID 62823071
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate?
The IUPAC name of butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate (CID 80702994) is butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate?
The canonical SMILES for butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate is CCCCOC(=O)CN1CCC(C)(O)CC1.
What is the InChIKey of butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate?
The InChIKey is SSTRVNDDODMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-9-16-11(14)10-13-7-5-12(2,15)6-8-13/h15H,3-10H2,1-2H3.
What are the key properties of butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate?
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 80702994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).