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

C14H22N6O — CID 28737834

IUPAC[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cnc(CN2CCC[C@H](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)/t12-/m0/s1
InChIKeyREAKOCXNSVUGLS-LBPRGKRZSA-N
MW290.37 g/mol
LogP0.71
Rot. Bonds5

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

[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (PubChem CID 28737834) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
PubChem CID28737834
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
SMILESCc1cnc(CN2CCC[C@H](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)/t12-/m0/s1
InChIKeyREAKOCXNSVUGLS-LBPRGKRZSA-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-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol with MolForge

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Related Compounds

[1-[[(3R)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28906323
[1-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45209928
4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154924728
2-[1-[(1-butylpiperidin-3-yl)methyl]triazol-4-yl]ethanol
CID 46991908
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
tert-butyl 3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidine-1-carboxylate
CID 121208608
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 45210866
[1-[[1-(6-chloropyridazin-3-yl)piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 45186762
[1-[[(3S)-1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 31224091
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 46993018

Frequently Asked Questions

What is the IUPAC name of [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol (CID 28737834) is [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is Cc1cnc(CN2CCC[C@H](Cn3cc(CO)nn3)C2)[nH]1.
What is the InChIKey of [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
The InChIKey is REAKOCXNSVUGLS-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of [1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol?
[1-[[(3S)-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-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28737834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).