5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine

C19H38N2 — CID 64841098

IUPAC5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1(C)C1CC1
InChIInChI=1S/C19H38N2/c1-6-7-8-9-10-13-21-14-17(18(2,3)4)20-15-19(21,5)16-11-12-16/h16-17,20H,6-15H2,1-5H3
InChIKeyKDUQUAGXCYPAEX-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine

5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine (PubChem CID 64841098) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
PubChem CID64841098
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1(C)C1CC1
InChIInChI=1S/C19H38N2/c1-6-7-8-9-10-13-21-14-17(18(2,3)4)20-15-19(21,5)16-11-12-16/h16-17,20H,6-15H2,1-5H3
InChIKeyKDUQUAGXCYPAEX-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
CID 103016447
1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568
1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
1-butyl-2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64838885
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64842062
2-cyclopropyl-2-methyl-1-pentyl-5-phenylpiperazine
CID 64876131
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64842063
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631
2-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)-5-propylpiperazine
CID 64837859

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine (CID 64841098) is 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine is CCCCCCCN1CC(C(C)(C)C)NCC1(C)C1CC1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine?
The InChIKey is KDUQUAGXCYPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-7-8-9-10-13-21-14-17(18(2,3)4)20-15-19(21,5)16-11-12-16/h16-17,20H,6-15H2,1-5H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine?
5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine is sourced from PubChem (CID 64841098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).