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

C14H28CuN2O4- — CID 5247465

IUPACcopper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)
SMILESOCC1CCCC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+]
InChIInChI=1S/2C7H14NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h2*6-7,9-10H,1-5H2;/q2*-1;+1
InChIKeyASHNKFBSFCTRHO-UHFFFAOYSA-N
MW351.93 g/mol
LogP0.53
Rot. Bonds4

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

copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol) (PubChem CID 5247465) has the molecular formula C14H28CuN2O4- and a molecular weight of 351.93 g/mol. Its IUPAC name is copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol).

Molecular Properties

Compound Namecopper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)
PubChem CID5247465
Molecular FormulaC14H28CuN2O4-
Molecular Weight351.93 g/mol
Exact Mass351.14
IUPAC Namecopper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)
SMILESOCC1CCCC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+]
InChIInChI=1S/2C7H14NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h2*6-7,9-10H,1-5H2;/q2*-1;+1
InChIKeyASHNKFBSFCTRHO-UHFFFAOYSA-N
XLogP0.53
TPSA109.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol
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CID 19012640
[(3S)-3-aminocyclohexyl]methanol
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[(1S,7R)-8-bicyclo[5.1.0]octanyl]methanol
CID 130650941
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
[(1S,8R)-9-bicyclo[6.1.0]nonanyl]methanol
CID 130621162
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
cyclobutylmethanol;methanesulfonic acid
CID 71380993
[(1S)-3-methylcyclohexyl]methanol
CID 89207619

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)?
The IUPAC name of copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol) (CID 5247465) is copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol).
What is the SMILES notation for copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)?
The canonical SMILES for copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol) is OCC1CCCC(CO)[N-]1.OCC1CCCC(CO)[N-]1.[Cu+].
What is the InChIKey of copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)?
The InChIKey is ASHNKFBSFCTRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14NO2.Cu/c2*9-4-6-2-1-3-7(5-10)8-6;/h2*6-7,9-10H,1-5H2;/q2*-1;+1.
What are the key properties of copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol)?
copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol) has a molecular weight of 351.93 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis([6-(hydroxymethyl)piperidin-1-id-2-yl]methanol) is sourced from PubChem (CID 5247465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).