tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate

C10H19NO3 — CID 96860128

IUPACtert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCNC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-4-5-11-6-8(7)12/h7-8,11-12H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeySQBZJFPFSYUUCC-SFYZADRCSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds1

About tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate

tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate (PubChem CID 96860128) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
PubChem CID96860128
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCNC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-4-5-11-6-8(7)12/h7-8,11-12H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeySQBZJFPFSYUUCC-SFYZADRCSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
prop-2-enyl 3-hydroxypiperidine-4-carboxylate
CID 70579526
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate (CID 96860128) is tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCNC[C@@H]1O.
What is the InChIKey of tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate?
The InChIKey is SQBZJFPFSYUUCC-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-4-5-11-6-8(7)12/h7-8,11-12H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate?
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 96860128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).