[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

C15H24N6O — CID 28732816

IUPAC[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCn1cncc1CN1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C15H24N6O/c1-2-20-12-16-7-15(20)10-19-5-3-13(4-6-19)8-21-9-14(11-22)17-18-21/h7,9,12-13,22H,2-6,8,10-11H2,1H3
InChIKeyGHMHDMWHOOZFNH-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.90
Rot. Bonds6

About [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 28732816) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID28732816
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCCn1cncc1CN1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C15H24N6O/c1-2-20-12-16-7-15(20)10-19-5-3-13(4-6-19)8-21-9-14(11-22)17-18-21/h7,9,12-13,22H,2-6,8,10-11H2,1H3
InChIKeyGHMHDMWHOOZFNH-UHFFFAOYSA-N
XLogP0.90
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-({1-[(1-methyl-1H-imidazol-2-yl)carbonyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 45174204
[1-[[1-[(3-Ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154885211
(1-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 45167810
[1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91774145
[3-[(1-Methylpiperidin-4-yl)methyl]imidazol-4-yl]methanol
CID 18738687
[3-[(3-Propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol
CID 90899926
[1-[(3-Propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol
CID 141311851
[1-({1-[(2-ethyl-5-pyrimidinyl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28099402
[1-[[(3R)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737830
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
[1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]triazol-4-yl]methanol
CID 30851803
[1-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]triazol-4-yl]methanol
CID 30851804

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 28732816) is [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is CCn1cncc1CN1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is GHMHDMWHOOZFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-20-12-16-7-15(20)10-19-5-3-13(4-6-19)8-21-9-14(11-22)17-18-21/h7,9,12-13,22H,2-6,8,10-11H2,1H3.
What are the key properties of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 304.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28732816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).