2-(4-octan-2-ylpiperazin-1-yl)propanoic acid

C15H30N2O2 — CID 65062156

IUPAC2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
SMILESCCCCCCC(C)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)16-9-11-17(12-10-16)14(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyLZYQPNUMVYCXAT-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.44
Rot. Bonds8

About 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid

2-(4-octan-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 65062156) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
PubChem CID65062156
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
SMILESCCCCCCC(C)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)16-9-11-17(12-10-16)14(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyLZYQPNUMVYCXAT-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-(4-octan-2-ylpiperazin-1-yl)acetic acid
CID 65055294
2-(4-nonanoylpiperazin-1-yl)propanoic acid
CID 62317785
1-dodecan-2-ylpyrrolidine
CID 70871228
2-(1-octan-2-ylazetidin-3-yl)acetic acid
CID 65069289
4-heptadecan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174868
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
1-heptan-2-yl-4-methylpiperazine;1-methyl-4-pentylpiperazine
CID 143197605
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
1-heptan-2-ylpiperazine
CID 61464712
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174858
2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492

Frequently Asked Questions

What is the IUPAC name of 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid (CID 65062156) is 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid is CCCCCCC(C)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is LZYQPNUMVYCXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-8-13(2)16-9-11-17(12-10-16)14(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid?
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octan-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 65062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).