[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C12H22N2O2 — CID 68579406

IUPAC[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1CCO)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-10-9-13-8-4-5-11(13)12(16)14-6-2-1-3-7-14/h11,15H,1-10H2/t11-/m0/s1
InChIKeyVCBQNLANKBVNLY-NSHDSACASA-N
MW226.32 g/mol
LogP0.46
Rot. Bonds3

About [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 68579406) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID68579406
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN1CCO)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-10-9-13-8-4-5-11(13)12(16)14-6-2-1-3-7-14/h11,15H,1-10H2/t11-/m0/s1
InChIKeyVCBQNLANKBVNLY-NSHDSACASA-N
XLogP0.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 68579406) is [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@@H]1CCCN1CCO)N1CCCCC1.
What is the InChIKey of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is VCBQNLANKBVNLY-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c15-10-9-13-8-4-5-11(13)12(16)14-6-2-1-3-7-14/h11,15H,1-10H2/t11-/m0/s1.
What are the key properties of [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 226.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 68579406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).