4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

C16H21N5 — CID 95110871

IUPAC4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccn1
InChIInChI=1S/C16H21N5/c1-2-14(16-18-15(19-20-16)13-3-4-13)11-21(9-1)10-12-5-7-17-8-6-12/h5-8,13-14H,1-4,9-11H2,(H,18,19,20)/t14-/m0/s1
InChIKeyWDODROXQWAYAOD-AWEZNQCLSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds4

About 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine

4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 95110871) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
PubChem CID95110871
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
SMILESc1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccn1
InChIInChI=1S/C16H21N5/c1-2-14(16-18-15(19-20-16)13-3-4-13)11-21(9-1)10-12-5-7-17-8-6-12/h5-8,13-14H,1-4,9-11H2,(H,18,19,20)/t14-/m0/s1
InChIKeyWDODROXQWAYAOD-AWEZNQCLSA-N
XLogP2.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine with MolForge

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Related Compounds

3-[[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 95110858
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
3-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 75395875
3-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 97330844
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-[(2-methyl-3-nitrophenyl)methyl]piperidine
CID 122138396
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
3-[[3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 75472710

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine (CID 95110871) is 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is c1cc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccn1.
What is the InChIKey of 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is WDODROXQWAYAOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-14(16-18-15(19-20-16)13-3-4-13)11-21(9-1)10-12-5-7-17-8-6-12/h5-8,13-14H,1-4,9-11H2,(H,18,19,20)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine?
4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 283.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95110871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).