4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine

C14H23N5 — CID 62697192

IUPAC4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine
SMILESc1nnc(C2CCCN2C2CCNCC2)n1C1CC1
InChIInChI=1S/C14H23N5/c1-2-13(14-17-16-10-19(14)11-3-4-11)18(9-1)12-5-7-15-8-6-12/h10-13,15H,1-9H2
InChIKeyZHVNLIGBKQQCIH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.50
Rot. Bonds3

About 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine

4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine (PubChem CID 62697192) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine
PubChem CID62697192
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine
SMILESc1nnc(C2CCCN2C2CCNCC2)n1C1CC1
InChIInChI=1S/C14H23N5/c1-2-13(14-17-16-10-19(14)11-3-4-11)18(9-1)12-5-7-15-8-6-12/h10-13,15H,1-9H2
InChIKeyZHVNLIGBKQQCIH-UHFFFAOYSA-N
XLogP1.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine (CID 62697192) is 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine is c1nnc(C2CCCN2C2CCNCC2)n1C1CC1.
What is the InChIKey of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine?
The InChIKey is ZHVNLIGBKQQCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-13(14-17-16-10-19(14)11-3-4-11)18(9-1)12-5-7-15-8-6-12/h10-13,15H,1-9H2.
What are the key properties of 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine?
4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine has a molecular weight of 261.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 62697192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).