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

C16H21N3 — CID 117391857

IUPAC3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
SMILESCn1ccnc1-c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H21N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,9-10,14,17H,2-3,8,11-12H2,1H3
InChIKeyFKCAWFOOEYCRJT-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.63
Rot. Bonds3

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

3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine (PubChem CID 117391857) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
PubChem CID117391857
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
SMILESCn1ccnc1-c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H21N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,9-10,14,17H,2-3,8,11-12H2,1H3
InChIKeyFKCAWFOOEYCRJT-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

4-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391867
3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
CID 117397213
3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
CID 117391854
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 124641296
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine (CID 117391857) is 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine is Cn1ccnc1-c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
The InChIKey is FKCAWFOOEYCRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,9-10,14,17H,2-3,8,11-12H2,1H3.
What are the key properties of 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine?
3-[[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 3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117391857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).