tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate

C16H27NO3 — CID 178201603

IUPACtert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C(C2C=CCCC2)C1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h5,7,12-14,18H,4,6,8-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyXENAOYBLCRFDGT-JXQTWKCFSA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate

tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate (PubChem CID 178201603) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate
PubChem CID178201603
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C(C2C=CCCC2)C1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h5,7,12-14,18H,4,6,8-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyXENAOYBLCRFDGT-JXQTWKCFSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 3-(3-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 104928426
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl 3-(4-ethylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 104928472
tert-butyl 3-amino-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 175203709
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate (CID 178201603) is tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)C(C2C=CCCC2)C1.
What is the InChIKey of tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate?
The InChIKey is XENAOYBLCRFDGT-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h5,7,12-14,18H,4,6,8-11H2,1-3H3/t12?,13?,14-/m1/s1.
What are the key properties of tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate?
tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-cyclohex-2-en-1-yl-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 178201603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).