4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine

C19H30N6 — CID 29124108

IUPAC4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine
SMILESCc1ncc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1C
InChIInChI=1S/C19H30N6/c1-15-20-11-18(23(15)2)13-24-9-7-16(8-10-24)12-25-14-19(21-22-25)17-5-3-4-6-17/h11,14,16-17H,3-10,12-13H2,1-2H3
InChIKeyPMXFIFBVWDWQGR-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.89
Rot. Bonds5

About 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine

4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine (PubChem CID 29124108) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine
PubChem CID29124108
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine
SMILESCc1ncc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1C
InChIInChI=1S/C19H30N6/c1-15-20-11-18(23(15)2)13-24-9-7-16(8-10-24)12-25-14-19(21-22-25)17-5-3-4-6-17/h11,14,16-17H,3-10,12-13H2,1-2H3
InChIKeyPMXFIFBVWDWQGR-UHFFFAOYSA-N
XLogP2.89
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine (CID 29124108) is 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine is Cc1ncc(CN2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1C.
What is the InChIKey of 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine?
The InChIKey is PMXFIFBVWDWQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15-20-11-18(23(15)2)13-24-9-7-16(8-10-24)12-25-14-19(21-22-25)17-5-3-4-6-17/h11,14,16-17H,3-10,12-13H2,1-2H3.
What are the key properties of 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine?
4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine has a molecular weight of 342.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopentyltriazol-1-yl)methyl]-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 29124108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).