3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine

C16H23N3 — CID 117397213

IUPAC3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
SMILESCN1CCN=C1c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H23N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyVUMVIMCWVBBYOU-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.92
Rot. Bonds3

About 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine

3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine (PubChem CID 117397213) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
PubChem CID117397213
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine
SMILESCN1CCN=C1c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C16H23N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyVUMVIMCWVBBYOU-UHFFFAOYSA-N
XLogP1.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391857
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
3-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]piperidine
CID 117391854

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine (CID 117397213) is 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine is CN1CCN=C1c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine?
The InChIKey is VUMVIMCWVBBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-10-9-18-16(19)15-6-4-13(5-7-15)11-14-3-2-8-17-12-14/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine?
3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine has a molecular weight of 257.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117397213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).