1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

C19H25N3O2 — CID 70719568

IUPAC1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C19H25N3O2/c1-2-21-11-9-20-19(21)17-4-3-10-22(13-17)18(24)12-15-5-7-16(14-23)8-6-15/h5-9,11,17,23H,2-4,10,12-14H2,1H3
InChIKeyTUUXPVMXANEKDC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.34
Rot. Bonds5

About 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 70719568) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID70719568
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESCCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C19H25N3O2/c1-2-21-11-9-20-19(21)17-4-3-10-22(13-17)18(24)12-15-5-7-16(14-23)8-6-15/h5-9,11,17,23H,2-4,10,12-14H2,1H3
InChIKeyTUUXPVMXANEKDC-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 70719568) is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is CCn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1.
What is the InChIKey of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is TUUXPVMXANEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-21-11-9-20-19(21)17-4-3-10-22(13-17)18(24)12-15-5-7-16(14-23)8-6-15/h5-9,11,17,23H,2-4,10,12-14H2,1H3.
What are the key properties of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 70719568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).