(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide

C17H24IN3O — CID 174441811

IUPAC(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide
SMILESCN1C=CN(C(=O)N2CCC(Cc3ccccc3)CC2)C1.I
InChIInChI=1S/C17H23N3O.HI/c1-18-11-12-20(14-18)17(21)19-9-7-16(8-10-19)13-15-5-3-2-4-6-15;/h2-6,11-12,16H,7-10,13-14H2,1H3;1H
InChIKeyIMOPHAHMSITMNC-UHFFFAOYSA-N
MW413.30 g/mol
LogP3.36
Rot. Bonds2

About (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide

(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide (PubChem CID 174441811) has the molecular formula C17H24IN3O and a molecular weight of 413.30 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide
PubChem CID174441811
Molecular FormulaC17H24IN3O
Molecular Weight413.30 g/mol
Exact Mass413.10
IUPAC Name(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide
SMILESCN1C=CN(C(=O)N2CCC(Cc3ccccc3)CC2)C1.I
InChIInChI=1S/C17H23N3O.HI/c1-18-11-12-20(14-18)17(21)19-9-7-16(8-10-19)13-15-5-3-2-4-6-15;/h2-6,11-12,16H,7-10,13-14H2,1H3;1H
InChIKeyIMOPHAHMSITMNC-UHFFFAOYSA-N
XLogP3.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
(4-benzylpiperidin-1-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 108989730
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
1-chloropropan-2-yl 4-benzylpiperidine-1-carboxylate
CID 154187769
2-amino-1-(4-benzylpiperidin-1-yl)-2-methylpentan-1-one
CID 60847519

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide (CID 174441811) is (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide is CN1C=CN(C(=O)N2CCC(Cc3ccccc3)CC2)C1.I.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide?
The InChIKey is IMOPHAHMSITMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.HI/c1-18-11-12-20(14-18)17(21)19-9-7-16(8-10-19)13-15-5-3-2-4-6-15;/h2-6,11-12,16H,7-10,13-14H2,1H3;1H.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide?
(4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide has a molecular weight of 413.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-methyl-2H-imidazol-1-yl)methanone;hydroiodide is sourced from PubChem (CID 174441811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).