1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C15H28N4O — CID 56779882

IUPAC1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCn1ccnc1CNCC1CCN(CC(C)O)CC1
InChIInChI=1S/C15H28N4O/c1-3-19-9-6-17-15(19)11-16-10-14-4-7-18(8-5-14)12-13(2)20/h6,9,13-14,16,20H,3-5,7-8,10-12H2,1-2H3
InChIKeyAOELVABEHVQPQB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.09
Rot. Bonds7

About 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 56779882) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID56779882
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCn1ccnc1CNCC1CCN(CC(C)O)CC1
InChIInChI=1S/C15H28N4O/c1-3-19-9-6-17-15(19)11-16-10-14-4-7-18(8-5-14)12-13(2)20/h6,9,13-14,16,20H,3-5,7-8,10-12H2,1-2H3
InChIKeyAOELVABEHVQPQB-UHFFFAOYSA-N
XLogP1.09
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 56779882) is 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is CCn1ccnc1CNCC1CCN(CC(C)O)CC1.
What is the InChIKey of 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is AOELVABEHVQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-19-9-6-17-15(19)11-16-10-14-4-7-18(8-5-14)12-13(2)20/h6,9,13-14,16,20H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1-ethylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 56779882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).