[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone

C12H21NO2 — CID 154935332

IUPAC[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone
SMILESC[C@H]1CCCN(C(=O)C2CCCCO2)C1
InChIInChI=1S/C12H21NO2/c1-10-5-4-7-13(9-10)12(14)11-6-2-3-8-15-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyMUNOWLPLWRCOFP-VUWPPUDQSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds1

About [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone

[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 154935332) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone
PubChem CID154935332
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone
SMILESC[C@H]1CCCN(C(=O)C2CCCCO2)C1
InChIInChI=1S/C12H21NO2/c1-10-5-4-7-13(9-10)12(14)11-6-2-3-8-15-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyMUNOWLPLWRCOFP-VUWPPUDQSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone (CID 154935332) is [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone is C[C@H]1CCCN(C(=O)C2CCCCO2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is MUNOWLPLWRCOFP-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-5-4-7-13(9-10)12(14)11-6-2-3-8-15-11/h10-11H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone?
[(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone has a molecular weight of 211.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 154935332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).