4-(2-benzyl-1H-imidazol-5-yl)piperidine

C15H19N3 — CID 18461127

IUPAC4-(2-benzyl-1H-imidazol-5-yl)piperidine
SMILESc1ccc(Cc2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2,(H,17,18)
InChIKeyWKHLVNQRMVMRLG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.47
Rot. Bonds3

About 4-(2-benzyl-1H-imidazol-5-yl)piperidine

4-(2-benzyl-1H-imidazol-5-yl)piperidine (PubChem CID 18461127) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-(2-benzyl-1H-imidazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(2-benzyl-1H-imidazol-5-yl)piperidine
PubChem CID18461127
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-(2-benzyl-1H-imidazol-5-yl)piperidine
SMILESc1ccc(Cc2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2,(H,17,18)
InChIKeyWKHLVNQRMVMRLG-UHFFFAOYSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 56031
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CID 68601
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Atipamezole Hydrochloride
CID 13649426

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-1H-imidazol-5-yl)piperidine?
The IUPAC name of 4-(2-benzyl-1H-imidazol-5-yl)piperidine (CID 18461127) is 4-(2-benzyl-1H-imidazol-5-yl)piperidine.
What is the SMILES notation for 4-(2-benzyl-1H-imidazol-5-yl)piperidine?
The canonical SMILES for 4-(2-benzyl-1H-imidazol-5-yl)piperidine is c1ccc(Cc2ncc(C3CCNCC3)[nH]2)cc1.
What is the InChIKey of 4-(2-benzyl-1H-imidazol-5-yl)piperidine?
The InChIKey is WKHLVNQRMVMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2,(H,17,18).
What are the key properties of 4-(2-benzyl-1H-imidazol-5-yl)piperidine?
4-(2-benzyl-1H-imidazol-5-yl)piperidine has a molecular weight of 241.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1H-imidazol-5-yl)piperidine is sourced from PubChem (CID 18461127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).