(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

C12H18N2O2 — CID 43416076

IUPAC(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)CC2)n1C
InChIInChI=1S/C12H18N2O2/c1-9-3-4-11(13(9)2)12(16)14-7-5-10(15)6-8-14/h3-4,10,15H,5-8H2,1-2H3
InChIKeyBXNIQGLJWFHWRN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.93
Rot. Bonds1

About (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone

(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 43416076) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID43416076
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(O)CC2)n1C
InChIInChI=1S/C12H18N2O2/c1-9-3-4-11(13(9)2)12(16)14-7-5-10(15)6-8-14/h3-4,10,15H,5-8H2,1-2H3
InChIKeyBXNIQGLJWFHWRN-UHFFFAOYSA-N
XLogP0.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 43416076) is (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(O)CC2)n1C.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BXNIQGLJWFHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-3-4-11(13(9)2)12(16)14-7-5-10(15)6-8-14/h3-4,10,15H,5-8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43416076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).