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

C23H28N4 — CID 30876772

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
SMILESCc1nccn1CCNC1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H28N4/c1-19-24-12-16-26(19)17-13-25-22-10-14-27(15-11-22)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,12,16,18,22,25H,10-11,13-15,17H2,1H3
InChIKeyXMNQKWYFJYZYSZ-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.12
Rot. Bonds6

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

N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine (PubChem CID 30876772) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
PubChem CID30876772
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine
SMILESCc1nccn1CCNC1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H28N4/c1-19-24-12-16-26(19)17-13-25-22-10-14-27(15-11-22)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,12,16,18,22,25H,10-11,13-15,17H2,1H3
InChIKeyXMNQKWYFJYZYSZ-UHFFFAOYSA-N
XLogP4.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379
3-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493690
1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
CID 131892843
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 109462592
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471446
1-[3-(2-methylpyrimidin-4-yl)phenyl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 31259354
N-methyl-N'-[1-[4-(2-methylimidazol-1-yl)phenyl]piperidin-4-yl]butane-1,4-diamine
CID 46983204
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
3-[2-[[1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 31125408

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine (CID 30876772) is N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine is Cc1nccn1CCNC1CCN(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine?
The InChIKey is XMNQKWYFJYZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-19-24-12-16-26(19)17-13-25-22-10-14-27(15-11-22)23-9-5-8-21(18-23)20-6-3-2-4-7-20/h2-9,12,16,18,22,25H,10-11,13-15,17H2,1H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine has a molecular weight of 360.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-1-(3-phenylphenyl)piperidin-4-amine is sourced from PubChem (CID 30876772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).