4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine

C14H25N5 — CID 53192542

IUPAC4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCNC2)CC1
InChIInChI=1S/C14H25N5/c1-11(2)19-10-16-17-14(19)12-4-7-18(8-5-12)13-3-6-15-9-13/h10-13,15H,3-9H2,1-2H3
InChIKeyGKGYLKJXHXAECZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.40
Rot. Bonds3

About 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine

4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine (PubChem CID 53192542) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine
PubChem CID53192542
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCNC2)CC1
InChIInChI=1S/C14H25N5/c1-11(2)19-10-16-17-14(19)12-4-7-18(8-5-12)13-3-6-15-9-13/h10-13,15H,3-9H2,1-2H3
InChIKeyGKGYLKJXHXAECZ-UHFFFAOYSA-N
XLogP1.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine?
The IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine (CID 53192542) is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine is CC(C)n1cnnc1C1CCN(C2CCNC2)CC1.
What is the InChIKey of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine?
The InChIKey is GKGYLKJXHXAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)19-10-16-17-14(19)12-4-7-18(8-5-12)13-3-6-15-9-13/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine?
4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine has a molecular weight of 263.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 53192542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).