1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol

C12H24N2O — CID 59140145

IUPAC1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol
SMILESCC(C)(C)N1CC(O)([C@@H]2CCCCN2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-8-12(15,9-14)10-6-4-5-7-13-10/h10,13,15H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyKLVODRKUXKBJAD-JTQLQIEISA-N
MW212.34 g/mol
LogP0.97
Rot. Bonds1

About 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol

1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol (PubChem CID 59140145) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol
PubChem CID59140145
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol
SMILESCC(C)(C)N1CC(O)([C@@H]2CCCCN2)C1
InChIInChI=1S/C12H24N2O/c1-11(2,3)14-8-12(15,9-14)10-6-4-5-7-13-10/h10,13,15H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyKLVODRKUXKBJAD-JTQLQIEISA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol?
The IUPAC name of 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol (CID 59140145) is 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol is CC(C)(C)N1CC(O)([C@@H]2CCCCN2)C1.
What is the InChIKey of 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol?
The InChIKey is KLVODRKUXKBJAD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)14-8-12(15,9-14)10-6-4-5-7-13-10/h10,13,15H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol?
1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 59140145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).