3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine

C16H25N5 — CID 70743009

IUPAC3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCCC(c2nccn2C)C1
InChIInChI=1S/C16H25N5/c1-14-17-7-12-21(14)10-4-9-20-8-3-5-15(13-20)16-18-6-11-19(16)2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyDCQSRGNHASBGTB-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.19
Rot. Bonds5

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

3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (PubChem CID 70743009) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
PubChem CID70743009
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
SMILESCc1nccn1CCCN1CCCC(c2nccn2C)C1
InChIInChI=1S/C16H25N5/c1-14-17-7-12-21(14)10-4-9-20-8-3-5-15(13-20)16-18-6-11-19(16)2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3
InChIKeyDCQSRGNHASBGTB-UHFFFAOYSA-N
XLogP2.19
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CID 162320
1,1'-Hexane-1,6-diylbis(1H-imidazole)
CID 16122577
4-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63554068
1,3,5-Triazine-2,4-diamine, 6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-
CID 162605
2-Butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
CID 6603041
1,4-Bis[(1-methylimidazol-2-yl)methyl]piperazine
CID 2946281
1,1'-(1,5-Pentanediyl)bis[1H-imidazole]
CID 10845871
1-Methyl-3-[8-(3-methylimidazol-3-ium-1-yl)octyl]imidazol-1-ium
CID 11191789
1-Methyl-3-[6-(3-methylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 11392995
1-Methyl-3-[4-(3-methylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 12036654
bis(N-methylimidazole-2-yl)methane
CID 10080906
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine (CID 70743009) is 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is Cc1nccn1CCCN1CCCC(c2nccn2C)C1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
The InChIKey is DCQSRGNHASBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-14-17-7-12-21(14)10-4-9-20-8-3-5-15(13-20)16-18-6-11-19(16)2/h6-7,11-12,15H,3-5,8-10,13H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine?
3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-[3-(2-methylimidazol-1-yl)propyl]piperidine is sourced from PubChem (CID 70743009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).