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

C20H30N4O2 — CID 50953741

IUPAC[4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Oc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1
InChIInChI=1S/C20H30N4O2/c1-15(2)26-18-6-4-17(5-7-18)13-24-10-8-16(9-11-24)12-19-21-22-20(14-25)23(19)3/h4-7,15-16,25H,8-14H2,1-3H3
InChIKeyAIPSWZOEQHFJCO-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.55
Rot. Bonds7

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

[4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 50953741) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID50953741
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Oc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1
InChIInChI=1S/C20H30N4O2/c1-15(2)26-18-6-4-17(5-7-18)13-24-10-8-16(9-11-24)12-19-21-22-20(14-25)23(19)3/h4-7,15-16,25H,8-14H2,1-3H3
InChIKeyAIPSWZOEQHFJCO-UHFFFAOYSA-N
XLogP2.55
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (CID 50953741) is [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is CC(C)Oc1ccc(CN2CCC(Cc3nnc(CO)n3C)CC2)cc1.
What is the InChIKey of [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is AIPSWZOEQHFJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(2)26-18-6-4-17(5-7-18)13-24-10-8-16(9-11-24)12-19-21-22-20(14-25)23(19)3/h4-7,15-16,25H,8-14H2,1-3H3.
What are the key properties of [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 358.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50953741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).