4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine

C19H34N4O — CID 72881107

IUPAC4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
SMILESCOC(C)c1nc(CC2CCN(C)CC2)nn1CC1CCCCC1
InChIInChI=1S/C19H34N4O/c1-15(24-3)19-20-18(13-16-9-11-22(2)12-10-16)21-23(19)14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3
InChIKeyALGCACRAUBLZKQ-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.45
Rot. Bonds6

About 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine

4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine (PubChem CID 72881107) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
PubChem CID72881107
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
SMILESCOC(C)c1nc(CC2CCN(C)CC2)nn1CC1CCCCC1
InChIInChI=1S/C19H34N4O/c1-15(24-3)19-20-18(13-16-9-11-22(2)12-10-16)21-23(19)14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3
InChIKeyALGCACRAUBLZKQ-UHFFFAOYSA-N
XLogP3.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine 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

(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine
CID 97436801
5-(1,4-dioxan-2-yl)-N-(2-methoxyethyl)-N-methyl-4-[(3-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
CID 132322642
3-(2-cyclohexylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 136551584
1-[5-(Cyclopentylmethyl)-4-methyl-1,2,4-triazol-3-yl]-3-(2,2,2-trifluoroethoxy)piperidine
CID 132287319
4-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)morpholine
CID 140111462
3-Chloro-5-cyclohexyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 140111502
1-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 140111592
1-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 53595102
1-[(5-Ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-[2-(2-methylcyclohexyl)oxyethyl]piperazine
CID 56778679
2-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62722881
2-(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62722908
4-[(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63876171

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine (CID 72881107) is 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine is COC(C)c1nc(CC2CCN(C)CC2)nn1CC1CCCCC1.
What is the InChIKey of 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The InChIKey is ALGCACRAUBLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-15(24-3)19-20-18(13-16-9-11-22(2)12-10-16)21-23(19)14-17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine has a molecular weight of 334.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclohexylmethyl)-5-(1-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 72881107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).