4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid

C14H22N2O8 — CID 67929869

IUPAC4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O4.C2H2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14;3-1(4)2(5)6/h9,13,18H,1-8H2,(H,15,16);(H,3,4)(H,5,6)
InChIKeyVBTIPZWRQULBSC-UHFFFAOYSA-N
MW346.34 g/mol
LogP-1.42
Rot. Bonds2

About 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid

4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid (PubChem CID 67929869) has the molecular formula C14H22N2O8 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid.

Molecular Properties

Compound Name4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid
PubChem CID67929869
Molecular FormulaC14H22N2O8
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Name4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O4.C2H2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14;3-1(4)2(5)6/h9,13,18H,1-8H2,(H,15,16);(H,3,4)(H,5,6)
InChIKeyVBTIPZWRQULBSC-UHFFFAOYSA-N
XLogP-1.42
TPSA164.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 54557086
4-[[[2-[Ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 105954972
4-[(4-Carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498345
4-[(4-Acetylpiperazin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498347
Ethyl 4-hydroxy-4-[(3-oxopiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498377
4-Hydroxy-4-(piperazin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 106498499
4-Hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498552
4-Hydroxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106498571
4-[[[2-(Ethylamino)-2-oxoethyl]-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498580
4-[[Ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498584
4-[[Ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498585
4-Hydroxy-4-[[[2-(methylamino)-2-oxoethyl]-propylamino]methyl]cyclohexane-1-carboxylic acid
CID 106498589

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid?
The IUPAC name of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid (CID 67929869) is 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid.
What is the SMILES notation for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid?
The canonical SMILES for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid is O=C(O)C(=O)O.O=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid?
The InChIKey is VBTIPZWRQULBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4.C2H2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14;3-1(4)2(5)6/h9,13,18H,1-8H2,(H,15,16);(H,3,4)(H,5,6).
What are the key properties of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid?
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid has a molecular weight of 346.34 g/mol, XLogP of -1.42, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid is sourced from PubChem (CID 67929869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).