N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine

C15H22N4O — CID 61211228

IUPACN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC(c2ccco2)c2nccn2C)C1
InChIInChI=1S/C15H22N4O/c1-18-8-3-5-12(11-18)17-14(13-6-4-10-20-13)15-16-7-9-19(15)2/h4,6-7,9-10,12,14,17H,3,5,8,11H2,1-2H3
InChIKeyRFFZIOYISGFJCQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.79
Rot. Bonds4

About N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 61211228) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID61211228
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC(c2ccco2)c2nccn2C)C1
InChIInChI=1S/C15H22N4O/c1-18-8-3-5-12(11-18)17-14(13-6-4-10-20-13)15-16-7-9-19(15)2/h4,6-7,9-10,12,14,17H,3,5,8,11H2,1-2H3
InChIKeyRFFZIOYISGFJCQ-UHFFFAOYSA-N
XLogP1.79
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 43761692
3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64920941
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
4-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]aniline
CID 43762276
(3R)-N-(furan-2-ylmethyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075763
1-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidin-3-amine
CID 61210102
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine (CID 61211228) is N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine is CN1CCCC(NC(c2ccco2)c2nccn2C)C1.
What is the InChIKey of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is RFFZIOYISGFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-8-3-5-12(11-18)17-14(13-6-4-10-20-13)15-16-7-9-19(15)2/h4,6-7,9-10,12,14,17H,3,5,8,11H2,1-2H3.
What are the key properties of N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine?
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 274.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61211228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).