N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine

C20H30N4 — CID 45180273

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
SMILESCc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)n1C
InChIInChI=1S/C20H30N4/c1-17-21-14-20(23(17)3)15-22(2)19-10-7-12-24(16-19)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,19H,7,10-13,15-16H2,1-3H3
InChIKeyFIVBHAOGIGZNQE-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.87
Rot. Bonds6

About N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine

N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine (PubChem CID 45180273) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
PubChem CID45180273
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
SMILESCc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)n1C
InChIInChI=1S/C20H30N4/c1-17-21-14-20(23(17)3)15-22(2)19-10-7-12-24(16-19)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,19H,7,10-13,15-16H2,1-3H3
InChIKeyFIVBHAOGIGZNQE-UHFFFAOYSA-N
XLogP2.87
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fadrozole
CID 59693
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-, hydrochloride (1:1)
CID 59694
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
PF-670462
CID 51049607
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Efetozole
CID 208911
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
Ngd 94-1
CID 188942
2-Phenylimidazo(1,2-a)pyridine
CID 201136
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine (CID 45180273) is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine is Cc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
The InChIKey is FIVBHAOGIGZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-17-21-14-20(23(17)3)15-22(2)19-10-7-12-24(16-19)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,19H,7,10-13,15-16H2,1-3H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine has a molecular weight of 326.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45180273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).