3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid

C14H19ClN2O2 — CID 43537419

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11(10-14(18)19)16-6-8-17(9-7-16)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyCKTXISYYXYGQGP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.33
Rot. Bonds4

About 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid

3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid (PubChem CID 43537419) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
PubChem CID43537419
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11(10-14(18)19)16-6-8-17(9-7-16)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyCKTXISYYXYGQGP-UHFFFAOYSA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
2-(4-butan-2-ylpiperazin-1-yl)-6-chlorobenzoic acid
CID 62773833
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 18545117
1-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenoxypropan-2-ol
CID 135372686
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid (CID 43537419) is 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid is CC(CC(=O)O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid?
The InChIKey is CKTXISYYXYGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11(10-14(18)19)16-6-8-17(9-7-16)13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid?
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid has a molecular weight of 282.77 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 43537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).