tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate

C10H20N2O3 — CID 118178604

IUPACtert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyREUNVCLBHFFYFH-SFYZADRCSA-N
MW216.28 g/mol
LogP0.23
Rot. Bonds1

About tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate (PubChem CID 118178604) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
PubChem CID118178604
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyREUNVCLBHFFYFH-SFYZADRCSA-N
XLogP0.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-(4-hydroxypiperidin-3-yl)carbamate;oxalic acid
CID 138108864
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3R,4S)-3-hydroxypiperidin-4-yl]carbamate;carbamic acid
CID 69182337
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-(3-methoxypiperidin-4-yl)carbamate
CID 76599311
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate (CID 118178604) is tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate?
The InChIKey is REUNVCLBHFFYFH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate is sourced from PubChem (CID 118178604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).