6-piperazin-1-ylhexanoic acid

C10H20N2O2 — CID 54010280

IUPAC6-piperazin-1-ylhexanoic acid
SMILESO=C(O)CCCCCN1CCNCC1
InChIInChI=1S/C10H20N2O2/c13-10(14)4-2-1-3-7-12-8-5-11-6-9-12/h11H,1-9H2,(H,13,14)
InChIKeyMPLRMSCULRDKFQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds6

About 6-piperazin-1-ylhexanoic acid

6-piperazin-1-ylhexanoic acid (PubChem CID 54010280) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-piperazin-1-ylhexanoic acid.

Molecular Properties

Compound Name6-piperazin-1-ylhexanoic acid
PubChem CID54010280
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name6-piperazin-1-ylhexanoic acid
SMILESO=C(O)CCCCCN1CCNCC1
InChIInChI=1S/C10H20N2O2/c13-10(14)4-2-1-3-7-12-8-5-11-6-9-12/h11H,1-9H2,(H,13,14)
InChIKeyMPLRMSCULRDKFQ-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,4-diazepan-1-yl)pentanoic acid
CID 61397954
6-(aziridin-1-yl)hexanoic acid
CID 141385441
3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
CID 21338288
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
bis(hexanedioic acid);piperazine
CID 159642331
8-(1,4-diazepan-1-yl)octan-2-one
CID 18958812
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
(Z)-18-piperazin-1-yloctadec-9-enamide
CID 67992016
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
CID 12524103
decanedioic acid;bis(piperidine)
CID 173189213

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylhexanoic acid?
The IUPAC name of 6-piperazin-1-ylhexanoic acid (CID 54010280) is 6-piperazin-1-ylhexanoic acid.
What is the SMILES notation for 6-piperazin-1-ylhexanoic acid?
The canonical SMILES for 6-piperazin-1-ylhexanoic acid is O=C(O)CCCCCN1CCNCC1.
What is the InChIKey of 6-piperazin-1-ylhexanoic acid?
The InChIKey is MPLRMSCULRDKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-10(14)4-2-1-3-7-12-8-5-11-6-9-12/h11H,1-9H2,(H,13,14).
What are the key properties of 6-piperazin-1-ylhexanoic acid?
6-piperazin-1-ylhexanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylhexanoic acid is sourced from PubChem (CID 54010280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).