2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol

C14H23N3O2 — CID 82691745

IUPAC2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C14H23N3O2/c18-7-8-19-14-3-5-16(6-4-14)10-13-9-15-11-17(13)12-1-2-12/h9,11-12,14,18H,1-8,10H2
InChIKeyWDFJGPYWJISTHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds6

About 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 82691745) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
PubChem CID82691745
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cncn2C2CC2)CC1
InChIInChI=1S/C14H23N3O2/c18-7-8-19-14-3-5-16(6-4-14)10-13-9-15-11-17(13)12-1-2-12/h9,11-12,14,18H,1-8,10H2
InChIKeyWDFJGPYWJISTHT-UHFFFAOYSA-N
XLogP1.19
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol (CID 82691745) is 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(Cc2cncn2C2CC2)CC1.
What is the InChIKey of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is WDFJGPYWJISTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-7-8-19-14-3-5-16(6-4-14)10-13-9-15-11-17(13)12-1-2-12/h9,11-12,14,18H,1-8,10H2.
What are the key properties of 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 265.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).