1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine

C22H34N2 — CID 2845763

IUPAC1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESCC(C)=CCCC(C)CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N2/c1-20(2)9-7-10-21(3)19-24-17-15-23(16-18-24)14-8-13-22-11-5-4-6-12-22/h4-6,8-9,11-13,21H,7,10,14-19H2,1-3H3
InChIKeyOAESBAAOJNZKTB-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.70
Rot. Bonds8

About 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine

1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 2845763) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID2845763
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESCC(C)=CCCC(C)CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N2/c1-20(2)9-7-10-21(3)19-24-17-15-23(16-18-24)14-8-13-22-11-5-4-6-12-22/h4-6,8-9,11-13,21H,7,10,14-19H2,1-3H3
InChIKeyOAESBAAOJNZKTB-UHFFFAOYSA-N
XLogP4.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
[(1Z,4S)-4,8-dimethylnona-1,7-dienyl]benzene
CID 175723807
1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
CID 756886
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
4-[1-hydroxy-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzoic acid
CID 166307772

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine (CID 2845763) is 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine is CC(C)=CCCC(C)CN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is OAESBAAOJNZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-20(2)9-7-10-21(3)19-24-17-15-23(16-18-24)14-8-13-22-11-5-4-6-12-22/h4-6,8-9,11-13,21H,7,10,14-19H2,1-3H3.
What are the key properties of 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine?
1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 326.53 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylhept-5-enyl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 2845763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).