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

C16H21N3 — CID 117391867

IUPAC4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
SMILESCn1ccnc1-c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-16(19)15-4-2-13(3-5-15)12-14-6-8-17-9-7-14/h2-5,10-11,14,17H,6-9,12H2,1H3
InChIKeyMDDOXCNYCOKQBJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.63
Rot. Bonds3

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

4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine (PubChem CID 117391867) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
PubChem CID117391867
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
SMILESCn1ccnc1-c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H21N3/c1-19-11-10-18-16(19)15-4-2-13(3-5-15)12-14-6-8-17-9-7-14/h2-5,10-11,14,17H,6-9,12H2,1H3
InChIKeyMDDOXCNYCOKQBJ-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
2-Phenylimidazole
CID 69591
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
Efetozole
CID 208911
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole
CID 10354661
1-(4-methylbenzyl)-1H-imidazole
CID 12229395

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine (CID 117391867) is 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine is Cn1ccnc1-c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The InChIKey is MDDOXCNYCOKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-11-10-18-16(19)15-4-2-13(3-5-15)12-14-6-8-17-9-7-14/h2-5,10-11,14,17H,6-9,12H2,1H3.
What are the key properties of 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117391867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).