1-oct-1-en-4-ylpiperazine

C12H24N2 — CID 66656053

IUPAC1-oct-1-en-4-ylpiperazine
SMILESC=CCC(CCCC)N1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-5-7-12(6-4-2)14-10-8-13-9-11-14/h4,12-13H,2-3,5-11H2,1H3
InChIKeyNTYPEEOKYZGGNN-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds6

About 1-oct-1-en-4-ylpiperazine

1-oct-1-en-4-ylpiperazine (PubChem CID 66656053) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-oct-1-en-4-ylpiperazine.

Molecular Properties

Compound Name1-oct-1-en-4-ylpiperazine
PubChem CID66656053
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-oct-1-en-4-ylpiperazine
SMILESC=CCC(CCCC)N1CCNCC1
InChIInChI=1S/C12H24N2/c1-3-5-7-12(6-4-2)14-10-8-13-9-11-14/h4,12-13H,2-3,5-11H2,1H3
InChIKeyNTYPEEOKYZGGNN-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-(1-phenylhexan-2-yl)piperazine
CID 67652874
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
N-methyl-4-piperazin-1-ylheptan-1-amine
CID 143122389
1-heptan-2-ylpiperazine
CID 61464712
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine
CID 171282356
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171282357
1-[1-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-5-piperazin-1-ylnonoxy]nonan-5-yl]piperazine
CID 174488177
1-piperazin-1-ylpentane-1-sulfonic acid
CID 139490607
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-heptan-3-ylazetidine
CID 172721722

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-en-4-ylpiperazine?
The IUPAC name of 1-oct-1-en-4-ylpiperazine (CID 66656053) is 1-oct-1-en-4-ylpiperazine.
What is the SMILES notation for 1-oct-1-en-4-ylpiperazine?
The canonical SMILES for 1-oct-1-en-4-ylpiperazine is C=CCC(CCCC)N1CCNCC1.
What is the InChIKey of 1-oct-1-en-4-ylpiperazine?
The InChIKey is NTYPEEOKYZGGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-7-12(6-4-2)14-10-8-13-9-11-14/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 1-oct-1-en-4-ylpiperazine?
1-oct-1-en-4-ylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-en-4-ylpiperazine is sourced from PubChem (CID 66656053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).