2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol

C14H25N3O — CID 66153041

IUPAC2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCCCn1cncc1CN1CCCC(CCO)C1
InChIInChI=1S/C14H25N3O/c1-2-6-17-12-15-9-14(17)11-16-7-3-4-13(10-16)5-8-18/h9,12-13,18H,2-8,10-11H2,1H3
InChIKeyCMYOXXIZKSXRRD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol

2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 66153041) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID66153041
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCCCn1cncc1CN1CCCC(CCO)C1
InChIInChI=1S/C14H25N3O/c1-2-6-17-12-15-9-14(17)11-16-7-3-4-13(10-16)5-8-18/h9,12-13,18H,2-8,10-11H2,1H3
InChIKeyCMYOXXIZKSXRRD-UHFFFAOYSA-N
XLogP1.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 66153041) is 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is CCCn1cncc1CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is CMYOXXIZKSXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-6-17-12-15-9-14(17)11-16-7-3-4-13(10-16)5-8-18/h9,12-13,18H,2-8,10-11H2,1H3.
What are the key properties of 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 66153041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).