1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C20H35N5 — CID 70707111

IUPAC1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H35N5/c1-2-25-19(16-23-12-6-7-13-23)21-22-20(25)17-10-14-24(15-11-17)18-8-4-3-5-9-18/h17-18H,2-16H2,1H3
InChIKeyYZTVKVDEQBWWIJ-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.41
Rot. Bonds5

About 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 70707111) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID70707111
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCn1c(CN2CCCC2)nnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H35N5/c1-2-25-19(16-23-12-6-7-13-23)21-22-20(25)17-10-14-24(15-11-17)18-8-4-3-5-9-18/h17-18H,2-16H2,1H3
InChIKeyYZTVKVDEQBWWIJ-UHFFFAOYSA-N
XLogP3.41
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 70707111) is 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCn1c(CN2CCCC2)nnc1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is YZTVKVDEQBWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-2-25-19(16-23-12-6-7-13-23)21-22-20(25)17-10-14-24(15-11-17)18-8-4-3-5-9-18/h17-18H,2-16H2,1H3.
What are the key properties of 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 345.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 70707111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).