tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate

C13H25NO3 — CID 155905155

IUPACtert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C13H25NO3/c1-9(2)10-8-14(7-6-11(10)15)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyNOBPQEMWAMJXPV-GHMZBOCLSA-N
MW243.35 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate

tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate (PubChem CID 155905155) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
PubChem CID155905155
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C13H25NO3/c1-9(2)10-8-14(7-6-11(10)15)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyNOBPQEMWAMJXPV-GHMZBOCLSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160
tert-butyl (4aR,8aS)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 127262569
tert-butyl (3R,4R)-3-carbamothioyl-4-hydroxypiperidine-1-carboxylate
CID 142743306
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 (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate (CID 155905155) is tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate is CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O.
What is the InChIKey of tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is NOBPQEMWAMJXPV-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)10-8-14(7-6-11(10)15)12(16)17-13(3,4)5/h9-11,15H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 155905155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).