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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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-8-amine hydrochloride
CID 119031288
4-methyl-3-[(2R)-pyrrolidin-2-yl]-4H-1,2,4-triazole dihydrochloride
CID 154814267
(2S)-2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}pyrrolidine dihydrochloride
CID 155943942
(2R)-2-(5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)pyrrolidine dihydrochloride
CID 155978269

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).