1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

C14H25N5 — CID 120901771

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(CC3(C)CCNC3)C2)n[nH]1
InChIInChI=1S/C14H25N5/c1-11-16-13(18-17-11)12-4-3-7-19(8-12)10-14(2)5-6-15-9-14/h12,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyQERYHKBCDZJPCS-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine

1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 120901771) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID120901771
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCc1nc(C2CCCN(CC3(C)CCNC3)C2)n[nH]1
InChIInChI=1S/C14H25N5/c1-11-16-13(18-17-11)12-4-3-7-19(8-12)10-14(2)5-6-15-9-14/h12,15H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyQERYHKBCDZJPCS-UHFFFAOYSA-N
XLogP1.29
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120904826
3-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole;hydrochloride
CID 120900078
2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 120901354
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
2-[(3-methylpiperidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943261
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine
CID 120899731
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
CID 120901831

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine (CID 120901771) is 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is Cc1nc(C2CCCN(CC3(C)CCNC3)C2)n[nH]1.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QERYHKBCDZJPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11-16-13(18-17-11)12-4-3-7-19(8-12)10-14(2)5-6-15-9-14/h12,15H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine?
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 263.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 120901771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).