tert-butyl 4-hydroxypiperidine-3-carboxylate

C10H19NO3 — CID 105453621

IUPACtert-butyl 4-hydroxypiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-11-5-4-8(7)12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyXAYYRYOYPWYYRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds1

About tert-butyl 4-hydroxypiperidine-3-carboxylate

tert-butyl 4-hydroxypiperidine-3-carboxylate (PubChem CID 105453621) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-3-carboxylate
PubChem CID105453621
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 4-hydroxypiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-11-5-4-8(7)12/h7-8,11-12H,4-6H2,1-3H3
InChIKeyXAYYRYOYPWYYRK-UHFFFAOYSA-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 (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
4-hydroxypiperidine-3-carboxamide
CID 146446982
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-3-carboxylate?
The IUPAC name of tert-butyl 4-hydroxypiperidine-3-carboxylate (CID 105453621) is tert-butyl 4-hydroxypiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-3-carboxylate is CC(C)(C)OC(=O)C1CNCCC1O.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-3-carboxylate?
The InChIKey is XAYYRYOYPWYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)7-6-11-5-4-8(7)12/h7-8,11-12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxypiperidine-3-carboxylate?
tert-butyl 4-hydroxypiperidine-3-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 4-hydroxypiperidine-3-carboxylate is sourced from PubChem (CID 105453621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).