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

C12H20N2O4 — CID 54557086

IUPAC4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14/h9,13,18H,1-8H2,(H,15,16)
InChIKeyZNXYQEXQESHKOC-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.58
Rot. Bonds2

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

4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 54557086) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID54557086
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14/h9,13,18H,1-8H2,(H,15,16)
InChIKeyZNXYQEXQESHKOC-UHFFFAOYSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Carbonic acid;(1-hydroxycyclohexyl)-piperazin-1-ylmethanone
CID 17990509
4-(Piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783984
4-Hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid;oxalic acid
CID 67929869
4-(2-Piperazin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782798
4-(2-Piperidin-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784522
4-[[[2-[Ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 105954972
4-[[2-[Ethyl(propyl)amino]ethylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 105961140
4-[[(1-Amino-3-methyl-1-oxobutan-2-yl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106346161
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
4-[(3-Carbamoylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498352
Ethyl 4-hydroxy-4-[(3-oxopiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498377

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 54557086) is 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(C(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ZNXYQEXQESHKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(16)9-1-3-12(18,4-2-9)11(17)14-7-5-13-6-8-14/h9,13,18H,1-8H2,(H,15,16).
What are the key properties of 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54557086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).