tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate

C14H25NO4 — CID 114451429

IUPACtert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CCCCO)C1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-8-7-12(17)11(10-15)6-4-5-9-16/h11,16H,4-10H2,1-3H3
InChIKeySCCUDPUNOUMEPV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.98
Rot. Bonds4

About tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate (PubChem CID 114451429) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate
PubChem CID114451429
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CCCCO)C1
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-8-7-12(17)11(10-15)6-4-5-9-16/h11,16H,4-10H2,1-3H3
InChIKeySCCUDPUNOUMEPV-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.98
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

3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
tert-Butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 2784670
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873
3-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoicacid
CID 21180615
Tert-butyl 4-(5-hydroxypentyl)piperidine-1-carboxylate
CID 21835183
(2R)-3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoic acid
CID 67177644
(2S)-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
CID 70110114
t-Butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
CID 114451414
Tert-butyl 3-(3-hydroxypropyl)-4-oxopiperidine-1-carboxylate
CID 114451447
tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
CID 134949805
Tert-butyl 4-oxo-3-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-carboxylate
CID 114451446

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate (CID 114451429) is tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(CCCCO)C1.
What is the InChIKey of tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is SCCUDPUNOUMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-8-7-12(17)11(10-15)6-4-5-9-16/h11,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 114451429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).