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

C15H28N2O3 — CID 125180940

IUPACtert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-4-10-19-13(12)11-6-8-16-9-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyJDIUZRMDRWWAHL-QWHCGFSZSA-N
MW284.40 g/mol
LogP2.06
Rot. Bonds2

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

tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate (PubChem CID 125180940) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate
PubChem CID125180940
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCNCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-4-10-19-13(12)11-6-8-16-9-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyJDIUZRMDRWWAHL-QWHCGFSZSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate (CID 125180940) is tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCNCC1.
What is the InChIKey of tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate?
The InChIKey is JDIUZRMDRWWAHL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-4-10-19-13(12)11-6-8-16-9-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate?
tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-2-piperidin-4-yloxan-3-yl]carbamate is sourced from PubChem (CID 125180940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).