3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

C15H26N4 — CID 120904826

IUPAC3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCn1ccnc1C1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H26N4/c1-15(5-6-16-11-15)12-19-8-3-4-13(10-19)14-17-7-9-18(14)2/h7,9,13,16H,3-6,8,10-12H2,1-2H3
InChIKeyMTEKXGAHYQEVRC-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.60
Rot. Bonds3

About 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120904826) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120904826
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCn1ccnc1C1CCCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H26N4/c1-15(5-6-16-11-15)12-19-8-3-4-13(10-19)14-17-7-9-18(14)2/h7,9,13,16H,3-6,8,10-12H2,1-2H3
InChIKeyMTEKXGAHYQEVRC-UHFFFAOYSA-N
XLogP1.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900211
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrazol-1-ylpiperidine
CID 120899731
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 120901771
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
CID 120901831
2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 120901354
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-fluoro-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]oxypyridine
CID 120904219
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120904826) is 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is Cn1ccnc1C1CCCN(CC2(C)CCNC2)C1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is MTEKXGAHYQEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(5-6-16-11-15)12-19-8-3-4-13(10-19)14-17-7-9-18(14)2/h7,9,13,16H,3-6,8,10-12H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120904826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).