[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol

C16H22N4O — CID 110913167

IUPAC[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
SMILESCn1cnnc1CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-19-12-17-18-15(19)11-20-9-7-14(8-10-20)16(21)13-5-3-2-4-6-13/h2-6,12,14,16,21H,7-11H2,1H3
InChIKeyVVZAGPFPLPVIBQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.76
Rot. Bonds4

About [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol

[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol (PubChem CID 110913167) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
PubChem CID110913167
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
SMILESCn1cnnc1CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H22N4O/c1-19-12-17-18-15(19)11-20-9-7-14(8-10-20)16(21)13-5-3-2-4-6-13/h2-6,12,14,16,21H,7-11H2,1H3
InChIKeyVVZAGPFPLPVIBQ-UHFFFAOYSA-N
XLogP1.76
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 112733969
1-[[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 25382269
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-phenylmethanol
CID 111432875
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
2-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 97332182
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771128
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol (CID 110913167) is [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol is Cn1cnnc1CN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is VVZAGPFPLPVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-12-17-18-15(19)11-20-9-7-14(8-10-20)16(21)13-5-3-2-4-6-13/h2-6,12,14,16,21H,7-11H2,1H3.
What are the key properties of [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol?
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 286.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 110913167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).