copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol

C14H24CuN2O4- — CID 5247466

IUPACcopper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol
SMILESOCC1=CC=CC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+]
InChIInChI=1S/C7H14NO2.C7H10NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h6-7,9-10H,1-5H2;1-3,6,9-10H,4-5H2;/q2*-1;+1
InChIKeyURSGAPXFSUVWOD-UHFFFAOYSA-N
MW347.90 g/mol
LogP0.43
Rot. Bonds4

About copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol

copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol (PubChem CID 5247466) has the molecular formula C14H24CuN2O4- and a molecular weight of 347.90 g/mol. Its IUPAC name is copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol.

Molecular Properties

Compound Namecopper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol
PubChem CID5247466
Molecular FormulaC14H24CuN2O4-
Molecular Weight347.90 g/mol
Exact Mass347.10
IUPAC Namecopper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol
SMILESOCC1=CC=CC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+]
InChIInChI=1S/C7H14NO2.C7H10NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h6-7,9-10H,1-5H2;1-3,6,9-10H,4-5H2;/q2*-1;+1
InChIKeyURSGAPXFSUVWOD-UHFFFAOYSA-N
XLogP0.43
TPSA109.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.90
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)
CID 5247465
[(3aS,7aS)-2,3,3a,7a-tetrahydro-1H-inden-4-yl]methanol
CID 24756745
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
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4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
CID 129405394
[2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153628
cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol
CID 5235581
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
CID 107908377

Frequently Asked Questions

What is the IUPAC name of copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol?
The IUPAC name of copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol (CID 5247466) is copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol.
What is the SMILES notation for copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol?
The canonical SMILES for copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol is OCC1=CC=CC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+].
What is the InChIKey of copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol?
The InChIKey is URSGAPXFSUVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2.C7H10NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h6-7,9-10H,1-5H2;1-3,6,9-10H,4-5H2;/q2*-1;+1.
What are the key properties of copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol?
copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol has a molecular weight of 347.90 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol is sourced from PubChem (CID 5247466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).