N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine

C22H26N4 — CID 31134379

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
SMILESCn1ccnc1CNC1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H26N4/c1-25-15-12-23-22(25)17-24-20-10-13-26(14-11-20)21-9-5-8-19(16-21)18-6-3-2-4-7-18/h2-9,12,15-16,20,24H,10-11,13-14,17H2,1H3
InChIKeyAFKSHSNQHFGSAL-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.85
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine

N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine (PubChem CID 31134379) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
PubChem CID31134379
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
SMILESCn1ccnc1CNC1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H26N4/c1-25-15-12-23-22(25)17-24-20-10-13-26(14-11-20)21-9-5-8-19(16-21)18-6-3-2-4-7-18/h2-9,12,15-16,20,24H,10-11,13-14,17H2,1H3
InChIKeyAFKSHSNQHFGSAL-UHFFFAOYSA-N
XLogP3.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 30876772
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
1-tert-butyl-N-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 62351182
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60695151
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
4-[4-[(1-propan-2-ylimidazol-2-yl)methylamino]piperidin-1-yl]benzoic acid
CID 166253787
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine (CID 31134379) is N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine is Cn1ccnc1CNC1CCN(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine?
The InChIKey is AFKSHSNQHFGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-25-15-12-23-22(25)17-24-20-10-13-26(14-11-20)21-9-5-8-19(16-21)18-6-3-2-4-7-18/h2-9,12,15-16,20,24H,10-11,13-14,17H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine?
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine is sourced from PubChem (CID 31134379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).