3-(4-cyclohexylpiperazin-1-yl)propanoic acid

C13H24N2O2 — CID 3156789

IUPAC3-(4-cyclohexylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyYTWPPUYGIHSOJR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

About 3-(4-cyclohexylpiperazin-1-yl)propanoic acid

3-(4-cyclohexylpiperazin-1-yl)propanoic acid (PubChem CID 3156789) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazin-1-yl)propanoic acid
PubChem CID3156789
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-(4-cyclohexylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKeyYTWPPUYGIHSOJR-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-propan-2-ylpiperazin-1-yl)propanoic Acid
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3-(4-Butan-2-ylpiperazin-1-yl)propanoic acid
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3-(cyclohexylmethylamino)propanoic Acid
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3-(Octahydro-2h-pyrido[1,2-a]pyrazin-2-yl)propionic acid
CID 17908962
3-[[2-[Bis(2-carboxyethyl)amino]cyclohexyl]-(2-carboxyethyl)amino]propanoic acid
CID 19806436
3-[2-Carboxyethyl(cyclohexyl)amino]propanoic acid
CID 20141839
3-(Dimethylamino)-2-piperidin-1-ylpropanoic acid
CID 20261501
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CID 20364399

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-cyclohexylpiperazin-1-yl)propanoic acid (CID 3156789) is 3-(4-cyclohexylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-cyclohexylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-cyclohexylpiperazin-1-yl)propanoic acid is O=C(O)CCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylpiperazin-1-yl)propanoic acid?
The InChIKey is YTWPPUYGIHSOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17).
What are the key properties of 3-(4-cyclohexylpiperazin-1-yl)propanoic acid?
3-(4-cyclohexylpiperazin-1-yl)propanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 3156789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).