1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

C21H30N4O2 — CID 72871600

IUPAC1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCN(C)CCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)12-13-24-11-9-22-21(24)19-4-3-10-25(15-19)20(27)14-17-5-7-18(16-26)8-6-17/h5-9,11,19,26H,3-4,10,12-16H2,1-2H3
InChIKeyDYIUBPYUOVPAOT-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.89
Rot. Bonds7

About 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 72871600) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID72871600
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCN(C)CCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C21H30N4O2/c1-23(2)12-13-24-11-9-22-21(24)19-4-3-10-25(15-19)20(27)14-17-5-7-18(16-26)8-6-17/h5-9,11,19,26H,3-4,10,12-16H2,1-2H3
InChIKeyDYIUBPYUOVPAOT-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 72871600) is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is CN(C)CCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is DYIUBPYUOVPAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-23(2)12-13-24-11-9-22-21(24)19-4-3-10-25(15-19)20(27)14-17-5-7-18(16-26)8-6-17/h5-9,11,19,26H,3-4,10,12-16H2,1-2H3.
What are the key properties of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 72871600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).