[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

C16H30N4O — CID 46993018

IUPAC[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCC(C)CCC(C)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C16H30N4O/c1-13(2)4-5-14(3)19-8-6-15(7-9-19)10-20-11-16(12-21)17-18-20/h11,13-15,21H,4-10,12H2,1-3H3
InChIKeyWMQJPVPQLQGJHY-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds7

About [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 46993018) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID46993018
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCC(C)CCC(C)N1CCC(Cn2cc(CO)nn2)CC1
InChIInChI=1S/C16H30N4O/c1-13(2)4-5-14(3)19-8-6-15(7-9-19)10-20-11-16(12-21)17-18-20/h11,13-15,21H,4-10,12H2,1-3H3
InChIKeyWMQJPVPQLQGJHY-UHFFFAOYSA-N
XLogP2.31
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28854477
[1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154888426
1-(5-methylhexan-2-yl)-4-(4-propyltriazol-1-yl)piperidine
CID 46991942
[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 29024208
1-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 31193716
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 46993018) is [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is CC(C)CCC(C)N1CCC(Cn2cc(CO)nn2)CC1.
What is the InChIKey of [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is WMQJPVPQLQGJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13(2)4-5-14(3)19-8-6-15(7-9-19)10-20-11-16(12-21)17-18-20/h11,13-15,21H,4-10,12H2,1-3H3.
What are the key properties of [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 294.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(5-methylhexan-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 46993018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).