1-hept-6-en-3-ylpiperazine

C11H22N2 — CID 22375101

IUPAC1-hept-6-en-3-ylpiperazine
SMILESC=CCCC(CC)N1CCNCC1
InChIInChI=1S/C11H22N2/c1-3-5-6-11(4-2)13-9-7-12-8-10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyPZFWSDAHBAAEKX-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

About 1-hept-6-en-3-ylpiperazine

1-hept-6-en-3-ylpiperazine (PubChem CID 22375101) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-hept-6-en-3-ylpiperazine.

Molecular Properties

Compound Name1-hept-6-en-3-ylpiperazine
PubChem CID22375101
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-hept-6-en-3-ylpiperazine
SMILESC=CCCC(CC)N1CCNCC1
InChIInChI=1S/C11H22N2/c1-3-5-6-11(4-2)13-9-7-12-8-10-13/h3,11-12H,1,4-10H2,2H3
InChIKeyPZFWSDAHBAAEKX-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
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

(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
N-allyl-3-methylpiperazine
CID 23447962
2-Methyl-6-(2-propenyl)piperidine
CID 68571453
2-(4-Pentenyl)-6-pentylpiperidine
CID 592515
5-fluoro-1-(2-fluorobut-3-enyl)-N-propan-2-ylpiperidin-3-amine
CID 169661365
1-(2-fluorobut-3-enyl)-N-propan-2-ylpiperidin-3-amine
CID 169661367
1-(5-Fluorohept-1-en-3-yl)piperazine
CID 174315995
cis-2-Methyl-6-(2-propenyl)piperidine
CID 129775628
1-[(2S)-1,1,1-trifluorohex-5-en-2-yl]piperazine
CID 171276184

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-en-3-ylpiperazine?
The IUPAC name of 1-hept-6-en-3-ylpiperazine (CID 22375101) is 1-hept-6-en-3-ylpiperazine.
What is the SMILES notation for 1-hept-6-en-3-ylpiperazine?
The canonical SMILES for 1-hept-6-en-3-ylpiperazine is C=CCCC(CC)N1CCNCC1.
What is the InChIKey of 1-hept-6-en-3-ylpiperazine?
The InChIKey is PZFWSDAHBAAEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-6-11(4-2)13-9-7-12-8-10-13/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-hept-6-en-3-ylpiperazine?
1-hept-6-en-3-ylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-en-3-ylpiperazine is sourced from PubChem (CID 22375101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).