4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

C16H28N4 — CID 120900211

IUPAC4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C16H28N4/c1-16(5-6-17-12-16)13-20-8-3-14(4-9-20)11-15-18-7-10-19(15)2/h7,10,14,17H,3-6,8-9,11-13H2,1-2H3
InChIKeyJICRMGPMUAMHDB-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.67
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120900211) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120900211
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C16H28N4/c1-16(5-6-17-12-16)13-20-8-3-14(4-9-20)11-15-18-7-10-19(15)2/h7,10,14,17H,3-6,8-9,11-13H2,1-2H3
InChIKeyJICRMGPMUAMHDB-UHFFFAOYSA-N
XLogP1.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
3-(1-methylimidazol-2-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120904826
4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56864149
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
CID 95841791
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 120899327
2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120900211) is 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is Cn1ccnc1CC1CCN(CC2(C)CCNC2)CC1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is JICRMGPMUAMHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(5-6-17-12-16)13-20-8-3-14(4-9-20)11-15-18-7-10-19(15)2/h7,10,14,17H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120900211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).