1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine

C20H38N2 — CID 170371526

IUPAC1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine
SMILESC=C(C(C)(C)C(C)C=CC)C(C)(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H38N2/c1-10-11-17(4)19(6,7)18(5)20(8,9)22-14-12-21(13-15-22)16(2)3/h10-11,16-17H,5,12-15H2,1-4,6-9H3
InChIKeyXTSDAKSLKOFAQV-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.59
Rot. Bonds6

About 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine

1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine (PubChem CID 170371526) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine
PubChem CID170371526
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine
SMILESC=C(C(C)(C)C(C)C=CC)C(C)(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H38N2/c1-10-11-17(4)19(6,7)18(5)20(8,9)22-14-12-21(13-15-22)16(2)3/h10-11,16-17H,5,12-15H2,1-4,6-9H3
InChIKeyXTSDAKSLKOFAQV-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.59
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-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine (CID 170371526) is 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine is C=C(C(C)(C)C(C)C=CC)C(C)(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine?
The InChIKey is XTSDAKSLKOFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-11-17(4)19(6,7)18(5)20(8,9)22-14-12-21(13-15-22)16(2)3/h10-11,16-17H,5,12-15H2,1-4,6-9H3.
What are the key properties of 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine?
1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine has a molecular weight of 306.54 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2,4,4,5-tetramethyl-3-methylideneoct-6-en-2-yl)piperazine is sourced from PubChem (CID 170371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).