tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate

C12H24N2O3 — CID 86587100

IUPACtert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC[C@H]1CCO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-10-8-13-6-4-9(10)5-7-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)/t9-,10+/m0/s1
InChIKeyRIBICHRGSYZEIO-VHSXEESVSA-N
MW244.33 g/mol
LogP0.87
Rot. Bonds3

About tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate (PubChem CID 86587100) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
PubChem CID86587100
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNCC[C@H]1CCO
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-10-8-13-6-4-9(10)5-7-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)/t9-,10+/m0/s1
InChIKeyRIBICHRGSYZEIO-VHSXEESVSA-N
XLogP0.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate (CID 86587100) is tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNCC[C@H]1CCO.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The InChIKey is RIBICHRGSYZEIO-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-10-8-13-6-4-9(10)5-7-15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)/t9-,10+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-(2-hydroxyethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86587100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).