2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid

C15H28N2O2 — CID 65062610

IUPAC2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
SMILESCC1CCCC(C)C1N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-11-5-4-6-12(2)14(11)17-9-7-16(8-10-17)13(3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyPCMDYSRJVNETQG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds3

About 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid

2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid (PubChem CID 65062610) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
PubChem CID65062610
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
SMILESCC1CCCC(C)C1N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-11-5-4-6-12(2)14(11)17-9-7-16(8-10-17)13(3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyPCMDYSRJVNETQG-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-[1-(2,6-dimethylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684450
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
CID 114820667
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
2-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]propanoic acid
CID 65062890
1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid (CID 65062610) is 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid is CC1CCCC(C)C1N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
The InChIKey is PCMDYSRJVNETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-5-4-6-12(2)14(11)17-9-7-16(8-10-17)13(3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid?
2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65062610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).