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

C10H20N2O3 — CID 10703946

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

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

tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate (PubChem CID 10703946) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate
PubChem CID10703946
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNC[C@@H]1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyMLTCALYMVICSBJ-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

rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
tert-butyl N-(((2R,4R)-4-hydroxypyrrolidin-2-yl)methyl)carbamate
CID 22869528
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 53396191
rac-tert-butyl N-((3R,4R)-3-hydroxypiperidin-4-yl)carbamate
CID 58745574
tert-Butyl ((3S,5R)-5-hydroxypiperidin-3-yl)carbamate
CID 58865451
(3S,4R)-tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate
CID 67372954
trans-4-Amino-1-boc-3-methoxypiperidine
CID 68054336
tert-butyl N-(5-hydroxypiperidin-3-yl)carbamate
CID 72447675
Tert-butyl cis-4-amino-3-hydroxy-piperidine-1-carboxylate
CID 86657841
tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate; acetic acid
CID 86811683
(3S,5R)-3-Amino-5-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
CID 86812129

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate (CID 10703946) is tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCNC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate?
The InChIKey is MLTCALYMVICSBJ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-6-8(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-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate?
tert-butyl N-[(3S,4R)-3-hydroxypiperidin-4-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-[(3S,4R)-3-hydroxypiperidin-4-yl]carbamate is sourced from PubChem (CID 10703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).