[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

C14H22N6O — CID 45184661

IUPAC[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cnc(CN2CCCC(Cn3cc(CO)nn3)C2)[nH]1
InChIInChI=1S/C14H22N6O/c1-11-5-15-14(16-11)9-19-4-2-3-12(6-19)7-20-8-13(10-21)17-18-20/h5,8,12,21H,2-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyREAKOCXNSVUGLS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.71
Rot. Bonds5

About [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol

[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 45184661) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID45184661
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cnc(CN2CCCC(Cn3cc(CO)nn3)C2)[nH]1
InChIInChI=1S/C14H22N6O/c1-11-5-15-14(16-11)9-19-4-2-3-12(6-19)7-20-8-13(10-21)17-18-20/h5,8,12,21H,2-4,6-7,9-10H2,1H3,(H,15,16)
InChIKeyREAKOCXNSVUGLS-UHFFFAOYSA-N
XLogP0.71
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol with MolForge

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Related Compounds

4-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-1-[(4-methyl-1H-imidazol-2-yl)methyl]piperidine bis(trifluoroacetate)
CID 29086119
[1-({1-[(1-methyl-1H-imidazol-2-yl)carbonyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 45174204
2-[1-({1-[(2-methyl-1H-imidazol-4-yl)methyl]-3-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]ethanol bis(trifluoroacetate) (salt)
CID 45227984
[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
CID 154885443
[1-({1-[(1-ethyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28732816
[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]methanol
CID 58238299
CID 158226967
CID 158226967
(2-hexan-2-yl-1H-imidazol-5-yl)methanol
CID 169620923
[2-(3-piperidin-1-ylpropyl)-1H-imidazol-5-yl]methanol
CID 10036547
[2-(4-piperidin-1-ylbutyl)-1H-imidazol-5-yl]methanol
CID 10354159
2-[1-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 28373925
2-[1-[[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
CID 28373929

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 45184661) is [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is Cc1cnc(CN2CCCC(Cn3cc(CO)nn3)C2)[nH]1.
What is the InChIKey of [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is REAKOCXNSVUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-5-15-14(16-11)9-19-4-2-3-12(6-19)7-20-8-13(10-21)17-18-20/h5,8,12,21H,2-4,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol has a molecular weight of 290.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 45184661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).