1-piperazin-1-ylhexan-1-one

C10H20N2O — CID 3248922

IUPAC1-piperazin-1-ylhexan-1-one
SMILESCCCCCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3
InChIKeyZVWWNYWKAQNQTM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds4

About 1-piperazin-1-ylhexan-1-one

1-piperazin-1-ylhexan-1-one (PubChem CID 3248922) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-piperazin-1-ylhexan-1-one.

Molecular Properties

Compound Name1-piperazin-1-ylhexan-1-one
PubChem CID3248922
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-piperazin-1-ylhexan-1-one
SMILESCCCCCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3
InChIKeyZVWWNYWKAQNQTM-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amidoamine S
CID 24091
Enmd-1068
CID 9950925
Dodecanamide, N-(2-aminoethyl)-
CID 82394
N-butylhexanamide
CID 252522
N-(2-(Dimethylamino)-ethyl)-lauramide
CID 4644625
Poly(imino(1,6-dioxo-1,6-hexanediyl)imino-1,6-hexanediyl)
CID 3032893
N-(4-Aminobutyl)-N-(3-aminopropyl)hexanamide
CID 86127607
Piperidine-2-carboxylic acid tert-butylamide
CID 5289197
N-[2-(hexanoylamino)propyl]hexanamide
CID 4431095
(S)-2,6-diamino-1-(piperidin-1-yl)hexan-1-one
CID 10443207
2,6-Diamino-1-piperidin-1-yl-hexan-1-one
CID 18398588
Tridecanoic acid (2-dimethylamino-ethyl)-amide
CID 44339740

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylhexan-1-one?
The IUPAC name of 1-piperazin-1-ylhexan-1-one (CID 3248922) is 1-piperazin-1-ylhexan-1-one.
What is the SMILES notation for 1-piperazin-1-ylhexan-1-one?
The canonical SMILES for 1-piperazin-1-ylhexan-1-one is CCCCCC(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylhexan-1-one?
The InChIKey is ZVWWNYWKAQNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-4-5-10(13)12-8-6-11-7-9-12/h11H,2-9H2,1H3.
What are the key properties of 1-piperazin-1-ylhexan-1-one?
1-piperazin-1-ylhexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylhexan-1-one is sourced from PubChem (CID 3248922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).