tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate

C11H20N2O4 — CID 118192935

IUPACtert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C1CCC(O)CN1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-9(15)8-5-4-7(14)6-12-8/h7-8,12,14H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyBVMJKMRWCGUKTO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.15
Rot. Bonds1

About tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate

tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate (PubChem CID 118192935) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate
PubChem CID118192935
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C1CCC(O)CN1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-9(15)8-5-4-7(14)6-12-8/h7-8,12,14H,4-6H2,1-3H3,(H,13,15,16)
InChIKeyBVMJKMRWCGUKTO-UHFFFAOYSA-N
XLogP0.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]carbamate
CID 69230175
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
tert-butyl (2S)-2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoate
CID 165351513
5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 50896271
(2-methylpropan-2-yl)oxycarbonyl 4-hydroxypyrrolidine-2-carboxylate
CID 23164484
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate (CID 118192935) is tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate is CC(C)(C)OC(=O)NC(=O)C1CCC(O)CN1.
What is the InChIKey of tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate?
The InChIKey is BVMJKMRWCGUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-9(15)8-5-4-7(14)6-12-8/h7-8,12,14H,4-6H2,1-3H3,(H,13,15,16).
What are the key properties of tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate?
tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate has a molecular weight of 244.29 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxypiperidine-2-carbonyl)carbamate is sourced from PubChem (CID 118192935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).