3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine

C12H20N4 — CID 62710235

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCCNC2)n1C1CCCC1
InChIInChI=1S/C12H20N4/c1-2-6-11(5-1)16-9-14-15-12(16)10-4-3-7-13-8-10/h9-11,13H,1-8H2
InChIKeyUSRVFJSJCQJTCM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds2

About 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine

3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 62710235) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
PubChem CID62710235
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
SMILESc1nnc(C2CCCNC2)n1C1CCCC1
InChIInChI=1S/C12H20N4/c1-2-6-11(5-1)16-9-14-15-12(16)10-4-3-7-13-8-10/h9-11,13H,1-8H2
InChIKeyUSRVFJSJCQJTCM-UHFFFAOYSA-N
XLogP1.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
3-(2-cyclopentylpyrazol-3-yl)piperidine
CID 102547955
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
CID 115394295
4-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]piperidine
CID 62697192

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine (CID 62710235) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine is c1nnc(C2CCCNC2)n1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is USRVFJSJCQJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-6-11(5-1)16-9-14-15-12(16)10-4-3-7-13-8-10/h9-11,13H,1-8H2.
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 62710235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).