3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid

C15H28N2O2 — CID 65055717

IUPAC3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
SMILESCC1CCC(C)C(N2CCN(CCC(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-3-4-13(2)14(11-12)17-9-7-16(8-10-17)6-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyHUQMIVSDAVTTAJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds4

About 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid

3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid (PubChem CID 65055717) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
PubChem CID65055717
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
SMILESCC1CCC(C)C(N2CCN(CCC(=O)O)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-3-4-13(2)14(11-12)17-9-7-16(8-10-17)6-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyHUQMIVSDAVTTAJ-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
CID 65055765
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 55179892
4-methyl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 16791098
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
3-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64921848
1-(azetidin-3-yl)-4-(2,5-dimethylcyclohexyl)piperazine
CID 66203861
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylcyclohexan-1-ol
CID 62888663
2-[1-(2,4-dimethylcyclohexyl)piperidin-4-yl]acetic acid
CID 79605630
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
tris(3-(aziridin-1-yl)propanoic acid);propane-1,1,1-triol
CID 22071895

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid (CID 65055717) is 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid is CC1CCC(C)C(N2CCN(CCC(=O)O)CC2)C1.
What is the InChIKey of 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The InChIKey is HUQMIVSDAVTTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-3-4-13(2)14(11-12)17-9-7-16(8-10-17)6-5-15(18)19/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dimethylcyclohexyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65055717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).