3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine

C12H22N4 — CID 62692383

IUPAC3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C12H22N4/c1-2-8-16-10-14-15-12(16)6-5-11-4-3-7-13-9-11/h10-11,13H,2-9H2,1H3
InChIKeyOUYSYUUSFLFCKN-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.62
Rot. Bonds5

About 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine

3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 62692383) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID62692383
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCCn1cnnc1CCC1CCCNC1
InChIInChI=1S/C12H22N4/c1-2-8-16-10-14-15-12(16)6-5-11-4-3-7-13-9-11/h10-11,13H,2-9H2,1H3
InChIKeyOUYSYUUSFLFCKN-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}piperidine
CID 24206116
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
4-methyl-4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 165871877
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 62692383) is 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine is CCCn1cnnc1CCC1CCCNC1.
What is the InChIKey of 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is OUYSYUUSFLFCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-8-16-10-14-15-12(16)6-5-11-4-3-7-13-9-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 62692383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).