4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

C19H30N6 — CID 31017893

IUPAC4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CN1CCC(n2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N6/c1-15-19(21-14-20-15)13-24-9-7-18(8-10-24)25-12-17(22-23-25)11-16-5-3-2-4-6-16/h12,14,16,18H,2-11,13H2,1H3,(H,20,21)
InChIKeyFHLJHNKLBYMUJP-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.27
Rot. Bonds5

About 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine

4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (PubChem CID 31017893) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
PubChem CID31017893
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
SMILESCc1[nH]cnc1CN1CCC(n2cc(CC3CCCCC3)nn2)CC1
InChIInChI=1S/C19H30N6/c1-15-19(21-14-20-15)13-24-9-7-18(8-10-24)25-12-17(22-23-25)11-16-5-3-2-4-6-16/h12,14,16,18H,2-11,13H2,1H3,(H,20,21)
InChIKeyFHLJHNKLBYMUJP-UHFFFAOYSA-N
XLogP3.27
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354300
4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354584
1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
CID 11166138
1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]piperidine
CID 51354296
1-[3-(1H-imidazol-5-yl)propyl]-4-pentyltriazole
CID 51354299
4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354301
4-(cyclohexylmethyl)-1-[4-(1H-imidazol-5-yl)butyl]triazole
CID 51354302
4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354303
4-(2-cyclohexylethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354304
4-heptyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354581
4-(1-cyclohexylethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354582
4-(cycloheptylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354583

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The IUPAC name of 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine (CID 31017893) is 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is Cc1[nH]cnc1CN1CCC(n2cc(CC3CCCCC3)nn2)CC1.
What is the InChIKey of 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
The InChIKey is FHLJHNKLBYMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15-19(21-14-20-15)13-24-9-7-18(8-10-24)25-12-17(22-23-25)11-16-5-3-2-4-6-16/h12,14,16,18H,2-11,13H2,1H3,(H,20,21).
What are the key properties of 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine?
4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine has a molecular weight of 342.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)triazol-1-yl]-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 31017893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).