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

C19H29N5O — CID 110932857

IUPAC[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCCc1nnc(CNc2ccccc2CN2CCC(CO)CC2)n1C
InChIInChI=1S/C19H29N5O/c1-3-18-21-22-19(23(18)2)12-20-17-7-5-4-6-16(17)13-24-10-8-15(14-25)9-11-24/h4-7,15,20,25H,3,8-14H2,1-2H3
InChIKeyMSJCJGOLUZTWIJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.19
Rot. Bonds7

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

[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 110932857) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
PubChem CID110932857
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCCc1nnc(CNc2ccccc2CN2CCC(CO)CC2)n1C
InChIInChI=1S/C19H29N5O/c1-3-18-21-22-19(23(18)2)12-20-17-7-5-4-6-16(17)13-24-10-8-15(14-25)9-11-24/h4-7,15,20,25H,3,8-14H2,1-2H3
InChIKeyMSJCJGOLUZTWIJ-UHFFFAOYSA-N
XLogP2.19
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111778087
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
CID 110932866
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
1-[(2-ethylphenyl)methyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70751340
cis-(1S,3R)-3-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]cyclohexane-1-carbonitrile
CID 124625572
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
[4-methyl-5-[[1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50953438
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
CID 167991758
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (CID 110932857) is [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is CCc1nnc(CNc2ccccc2CN2CCC(CO)CC2)n1C.
What is the InChIKey of [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is MSJCJGOLUZTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-18-21-22-19(23(18)2)12-20-17-7-5-4-6-16(17)13-24-10-8-15(14-25)9-11-24/h4-7,15,20,25H,3,8-14H2,1-2H3.
What are the key properties of [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 343.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110932857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).