N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine

C20H30N4 — CID 131924607

IUPACN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine
SMILESCCCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)[nH]1
InChIInChI=1S/C20H30N4/c1-3-4-8-20-22-15-18(23-20)14-21-17-9-11-24(12-10-17)19-7-5-6-16(2)13-19/h5-7,13,15,17,21H,3-4,8-12,14H2,1-2H3,(H,22,23)
InChIKeyUZBGQYHBYFDWEJ-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.82
Rot. Bonds7

About N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine

N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine (PubChem CID 131924607) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine
PubChem CID131924607
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine
SMILESCCCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)[nH]1
InChIInChI=1S/C20H30N4/c1-3-4-8-20-22-15-18(23-20)14-21-17-9-11-24(12-10-17)19-7-5-6-16(2)13-19/h5-7,13,15,17,21H,3-4,8-12,14H2,1-2H3,(H,22,23)
InChIKeyUZBGQYHBYFDWEJ-UHFFFAOYSA-N
XLogP3.82
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
CID 154912859
2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
CID 56859608
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739
1-(3-methylphenyl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-amine
CID 131909862
N-[(5-ethyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 82239451
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 42689956
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
N-ethyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585707
N-[[2-(butan-2-ylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65141714

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine (CID 131924607) is N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine is CCCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)[nH]1.
What is the InChIKey of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine?
The InChIKey is UZBGQYHBYFDWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-3-4-8-20-22-15-18(23-20)14-21-17-9-11-24(12-10-17)19-7-5-6-16(2)13-19/h5-7,13,15,17,21H,3-4,8-12,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine?
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine has a molecular weight of 326.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 131924607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).