tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate

C15H27NO4 — CID 114451414

IUPACtert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CCCCCO)C1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-9-8-13(18)12(11-16)7-5-4-6-10-17/h12,17H,4-11H2,1-3H3
InChIKeyNUJUSZOKRZDRBC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.37
Rot. Bonds5

About tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate (PubChem CID 114451414) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
PubChem CID114451414
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CCCCCO)C1
InChIInChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-9-8-13(18)12(11-16)7-5-4-6-10-17/h12,17H,4-11H2,1-3H3
InChIKeyNUJUSZOKRZDRBC-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.37
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

2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}cyclopentane-1-carboxylic acid
CID 138039617
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873
Tert-butyl 4-(5-hydroxypentyl)piperidine-1-carboxylate
CID 21835183
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
CID 154779816
t-Butyl 3-(4-hydroxybutyl)-4-oxopiperidine-1-carboxylate
CID 114451429
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
2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}cyclohexane-1-carboxylic acid
CID 139022483
5-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-2,2-difluoropentanoic acid
CID 165621683
5-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-3,3-difluoropentanoic acid
CID 165977891
tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
CID 11723231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate (CID 114451414) is tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(CCCCCO)C1.
What is the InChIKey of tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is NUJUSZOKRZDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-9-8-13(18)12(11-16)7-5-4-6-10-17/h12,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 114451414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).