butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO3 — CID 95473768

IUPACbutyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C11H21NO3/c1-2-3-7-15-11(14)12-6-4-5-10(8-12)9-13/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyCREMPECJQWCVKF-JTQLQIEISA-N
MW215.29 g/mol
LogP1.63
Rot. Bonds4

About butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate

butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 95473768) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID95473768
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namebutyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC[C@H](CO)C1
InChIInChI=1S/C11H21NO3/c1-2-3-7-15-11(14)12-6-4-5-10(8-12)9-13/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyCREMPECJQWCVKF-JTQLQIEISA-N
XLogP1.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl (3S)-3-(3-hydroxypropyl)piperidine-1-carboxylate
CID 67695311
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484
2-butoxy-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 71915017
butyl 3-(methylamino)piperidine-1-carboxylate
CID 175723002
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 112629389
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
butyl aziridine-1-carboxylate
CID 12641
butyl 3-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylate
CID 175978607
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615

Frequently Asked Questions

What is the IUPAC name of butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate (CID 95473768) is butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC[C@H](CO)C1.
What is the InChIKey of butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is CREMPECJQWCVKF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-7-15-11(14)12-6-4-5-10(8-12)9-13/h10,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate?
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 95473768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).