4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine

C12H24N2O — CID 90488110

IUPAC4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine
SMILESCO[C@H]1CN(C(C)C)[C@H]1C1CCNCC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-8-11(15-3)12(14)10-4-6-13-7-5-10/h9-13H,4-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyWLEJSTDJPLZDDI-RYUDHWBXSA-N
MW212.34 g/mol
LogP1.09
Rot. Bonds3

About 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine

4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine (PubChem CID 90488110) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine
PubChem CID90488110
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine
SMILESCO[C@H]1CN(C(C)C)[C@H]1C1CCNCC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-8-11(15-3)12(14)10-4-6-13-7-5-10/h9-13H,4-8H2,1-3H3/t11-,12-/m0/s1
InChIKeyWLEJSTDJPLZDDI-RYUDHWBXSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine?
The IUPAC name of 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine (CID 90488110) is 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine.
What is the SMILES notation for 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine?
The canonical SMILES for 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine is CO[C@H]1CN(C(C)C)[C@H]1C1CCNCC1.
What is the InChIKey of 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine?
The InChIKey is WLEJSTDJPLZDDI-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)14-8-11(15-3)12(14)10-4-6-13-7-5-10/h9-13H,4-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine?
4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-3-methoxy-1-propan-2-ylazetidin-2-yl]piperidine is sourced from PubChem (CID 90488110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).