N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

C15H28N4 — CID 63849479

IUPACN-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H28N4/c1-14(2)11-17-12-15-3-6-18(7-4-15)9-10-19-8-5-16-13-19/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyUPUGXYYYKDTDJE-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.84
Rot. Bonds7

About N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63849479) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63849479
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H28N4/c1-14(2)11-17-12-15-3-6-18(7-4-15)9-10-19-8-5-16-13-19/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3
InChIKeyUPUGXYYYKDTDJE-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511796
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
1-[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628258
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
2-methyl-N-[[1-(1-methylimidazol-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62593018
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 63849479) is N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(CCn2ccnc2)CC1.
What is the InChIKey of N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UPUGXYYYKDTDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-14(2)11-17-12-15-3-6-18(7-4-15)9-10-19-8-5-16-13-19/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63849479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).