[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

C19H28N4O — CID 50973441

IUPAC[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1C
InChIInChI=1S/C19H28N4O/c1-14-4-5-17(10-15(14)2)12-23-8-6-16(7-9-23)11-18-20-21-19(13-24)22(18)3/h4-5,10,16,24H,6-9,11-13H2,1-3H3
InChIKeyJYDXSYAKCKWHNR-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.38
Rot. Bonds5

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

[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 50973441) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID50973441
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1C
InChIInChI=1S/C19H28N4O/c1-14-4-5-17(10-15(14)2)12-23-8-6-16(7-9-23)11-18-20-21-19(13-24)22(18)3/h4-5,10,16,24H,6-9,11-13H2,1-3H3
InChIKeyJYDXSYAKCKWHNR-UHFFFAOYSA-N
XLogP2.38
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 50973441) is [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is Cc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1C.
What is the InChIKey of [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is JYDXSYAKCKWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-4-5-17(10-15(14)2)12-23-8-6-16(7-9-23)11-18-20-21-19(13-24)22(18)3/h4-5,10,16,24H,6-9,11-13H2,1-3H3.
What are the key properties of [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).