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

C19H35N5O — CID 50973263

IUPAC[4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)N1CCC(CN2CCC(Cc3nnc(CO)n3C)CC2)CC1
InChIInChI=1S/C19H35N5O/c1-15(2)24-10-6-17(7-11-24)13-23-8-4-16(5-9-23)12-18-20-21-19(14-25)22(18)3/h15-17,25H,4-14H2,1-3H3
InChIKeySRLLFMMYBCHHJT-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.68
Rot. Bonds6

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

[4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 50973263) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID50973263
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name[4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCC(C)N1CCC(CN2CCC(Cc3nnc(CO)n3C)CC2)CC1
InChIInChI=1S/C19H35N5O/c1-15(2)24-10-6-17(7-11-24)13-23-8-4-16(5-9-23)12-18-20-21-19(14-25)22(18)3/h15-17,25H,4-14H2,1-3H3
InChIKeySRLLFMMYBCHHJT-UHFFFAOYSA-N
XLogP1.68
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53603902
1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56780838
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 56781806
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
2-[[(5-{1-[(1R*,5S*,6r)-3-azabicyclo[3.1.0]hex-6-ylmethyl]piperidin-4-yl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amino]ethanol
CID 70713948
2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
2-(4-{4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidin-1-yl)propane-1,3-diol
CID 72857858
4-[[5-[(3S)-1-heptan-4-ylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95896823
2-[[(1S)-1-cyclohexylethyl]-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 100669946
(4-methyl-5-{[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl}-4H-1,2,4-triazol-3-yl)methanol
CID 50948143

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (CID 50973263) is [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is CC(C)N1CCC(CN2CCC(Cc3nnc(CO)n3C)CC2)CC1.
What is the InChIKey of [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is SRLLFMMYBCHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-15(2)24-10-6-17(7-11-24)13-23-8-4-16(5-9-23)12-18-20-21-19(14-25)22(18)3/h15-17,25H,4-14H2,1-3H3.
What are the key properties of [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 349.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50973263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).