1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine

C17H34N2 — CID 167599517

IUPAC1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)C=CCCC(C)(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-15(2)9-7-8-10-17(5,6)19-13-11-18(12-14-19)16(3)4/h7,9,15-16H,8,10-14H2,1-6H3
InChIKeyJNPLWPXUGHJUNL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.78
Rot. Bonds6

About 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine

1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine (PubChem CID 167599517) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine
PubChem CID167599517
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine
SMILESCC(C)C=CCCC(C)(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H34N2/c1-15(2)9-7-8-10-17(5,6)19-13-11-18(12-14-19)16(3)4/h7,9,15-16H,8,10-14H2,1-6H3
InChIKeyJNPLWPXUGHJUNL-UHFFFAOYSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine (CID 167599517) is 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine is CC(C)C=CCCC(C)(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is JNPLWPXUGHJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)9-7-8-10-17(5,6)19-13-11-18(12-14-19)16(3)4/h7,9,15-16H,8,10-14H2,1-6H3.
What are the key properties of 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine?
1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 266.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyloct-5-en-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 167599517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).