2-(2-piperazin-1-ylethyl)hexanoic acid

C12H24N2O2 — CID 142749407

IUPAC2-(2-piperazin-1-ylethyl)hexanoic acid
SMILESCCCCC(CCN1CCNCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-11(12(15)16)5-8-14-9-6-13-7-10-14/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeySLYWUBFPTWQDEJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds7

About 2-(2-piperazin-1-ylethyl)hexanoic acid

2-(2-piperazin-1-ylethyl)hexanoic acid (PubChem CID 142749407) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)hexanoic acid
PubChem CID142749407
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(2-piperazin-1-ylethyl)hexanoic acid
SMILESCCCCC(CCN1CCNCC1)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-2-3-4-11(12(15)16)5-8-14-9-6-13-7-10-14/h11,13H,2-10H2,1H3,(H,15,16)
InChIKeySLYWUBFPTWQDEJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227
2-[2-(4-phenylpiperazin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 142749388
CID 87702087
CID 87702087
2-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
CID 142749440
(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
CID 118890170
16-methyl-2-(2-piperazin-1-ylethyl)heptadecanamide
CID 141470628
1-tricosylpiperazine
CID 130183651
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
ethane;1-octylpiperazine
CID 144711845
2-(3,3-dihydroxypropyl)hexanoic acid
CID 175177467
λ2-stannane;2-propylhexanoic acid
CID 174232814

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)hexanoic acid?
The IUPAC name of 2-(2-piperazin-1-ylethyl)hexanoic acid (CID 142749407) is 2-(2-piperazin-1-ylethyl)hexanoic acid.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)hexanoic acid?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)hexanoic acid is CCCCC(CCN1CCNCC1)C(=O)O.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)hexanoic acid?
The InChIKey is SLYWUBFPTWQDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-3-4-11(12(15)16)5-8-14-9-6-13-7-10-14/h11,13H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-piperazin-1-ylethyl)hexanoic acid?
2-(2-piperazin-1-ylethyl)hexanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)hexanoic acid is sourced from PubChem (CID 142749407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).