[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol

C18H28N4O2 — CID 128983856

IUPAC[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H28N4O2/c1-20(12-15-6-7-16(13-23)24-15)11-14-5-4-10-21(2)18(14)17-8-9-19-22(17)3/h6-9,14,18,23H,4-5,10-13H2,1-3H3/t14-,18+/m0/s1
InChIKeyOTRCILQCHYXLLX-KBXCAEBGSA-N
MW332.45 g/mol
LogP2.02
Rot. Bonds6

About [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol

[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol (PubChem CID 128983856) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
PubChem CID128983856
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H28N4O2/c1-20(12-15-6-7-16(13-23)24-15)11-14-5-4-10-21(2)18(14)17-8-9-19-22(17)3/h6-9,14,18,23H,4-5,10-13H2,1-3H3/t14-,18+/m0/s1
InChIKeyOTRCILQCHYXLLX-KBXCAEBGSA-N
XLogP2.02
TPSA57.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 129007294
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]ethanamine
CID 128987589
4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
CID 128981639
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972925
N,2-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 128984984
N,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128984975
N-methyl-6-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridazine-3-carboxamide
CID 128981659
5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 128984638
N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1-propan-2-ylimidazole-4-carboxamide
CID 128989345
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol (CID 128983856) is [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol is CN(Cc1ccc(CO)o1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C.
What is the InChIKey of [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is OTRCILQCHYXLLX-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(12-15-6-7-16(13-23)24-15)11-14-5-4-10-21(2)18(14)17-8-9-19-22(17)3/h6-9,14,18,23H,4-5,10-13H2,1-3H3/t14-,18+/m0/s1.
What are the key properties of [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 332.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 128983856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).