2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine

C15H23N5 — CID 114704857

IUPAC2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
SMILESc1cn(CCCCn2cncc2C2CCCCN2)cn1
InChIInChI=1S/C15H23N5/c1-2-6-18-14(5-1)15-11-17-13-20(15)9-4-3-8-19-10-7-16-12-19/h7,10-14,18H,1-6,8-9H2
InChIKeyFSXIZPIRSRUWQY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine

2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine (PubChem CID 114704857) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
PubChem CID114704857
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine
SMILESc1cn(CCCCn2cncc2C2CCCCN2)cn1
InChIInChI=1S/C15H23N5/c1-2-6-18-14(5-1)15-11-17-13-20(15)9-4-3-8-19-10-7-16-12-19/h7,10-14,18H,1-6,8-9H2
InChIKeyFSXIZPIRSRUWQY-UHFFFAOYSA-N
XLogP2.37
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
CID 114705821
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine (CID 114704857) is 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine is c1cn(CCCCn2cncc2C2CCCCN2)cn1.
What is the InChIKey of 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine?
The InChIKey is FSXIZPIRSRUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-6-18-14(5-1)15-11-17-13-20(15)9-4-3-8-19-10-7-16-12-19/h7,10-14,18H,1-6,8-9H2.
What are the key properties of 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine?
2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114704857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).