[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol

C15H27N3O — CID 72878540

IUPAC[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCCn1ccnc1CN1CCCC(CC)(CO)C1
InChIInChI=1S/C15H27N3O/c1-3-8-18-10-7-16-14(18)11-17-9-5-6-15(4-2,12-17)13-19/h7,10,19H,3-6,8-9,11-13H2,1-2H3
InChIKeyAHUQMCOIHFPLTF-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.28
Rot. Bonds6

About [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol

[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 72878540) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID72878540
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCCn1ccnc1CN1CCCC(CC)(CO)C1
InChIInChI=1S/C15H27N3O/c1-3-8-18-10-7-16-14(18)11-17-9-5-6-15(4-2,12-17)13-19/h7,10,19H,3-6,8-9,11-13H2,1-2H3
InChIKeyAHUQMCOIHFPLTF-UHFFFAOYSA-N
XLogP2.28
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol (CID 72878540) is [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol is CCCn1ccnc1CN1CCCC(CC)(CO)C1.
What is the InChIKey of [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is AHUQMCOIHFPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-18-10-7-16-14(18)11-17-9-5-6-15(4-2,12-17)13-19/h7,10,19H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
[3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 72878540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).