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

C16H34N2 — CID 64841619

IUPAC5-tert-butyl-1-heptyl-2-methylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C16H34N2/c1-6-7-8-9-10-11-18-13-15(16(3,4)5)17-12-14(18)2/h14-15,17H,6-13H2,1-5H3
InChIKeyBGMNJASTRSKRQL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

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

5-tert-butyl-1-heptyl-2-methylpiperazine (PubChem CID 64841619) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-tert-butyl-1-heptyl-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-heptyl-2-methylpiperazine
PubChem CID64841619
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5-tert-butyl-1-heptyl-2-methylpiperazine
SMILESCCCCCCCN1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C16H34N2/c1-6-7-8-9-10-11-18-13-15(16(3,4)5)17-12-14(18)2/h14-15,17H,6-13H2,1-5H3
InChIKeyBGMNJASTRSKRQL-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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-1-heptyl-2-propylpiperazine
CID 64841631
5-tert-butyl-2-cyclopropyl-1-octylpiperazine
CID 64841844
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
1-heptyl-2-methylaziridine
CID 142378837
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
CID 114944393
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
1-decyl-3-ethyl-7-methyl-1,4-diazepane
CID 64869451
5-tert-butyl-1-[(1-ethylcyclobutyl)methyl]-2-methylpiperazine
CID 114109452
3-tert-butyl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane
CID 64870027

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-heptyl-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-heptyl-2-methylpiperazine (CID 64841619) is 5-tert-butyl-1-heptyl-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-heptyl-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-heptyl-2-methylpiperazine is CCCCCCCN1CC(C(C)(C)C)NCC1C.
What is the InChIKey of 5-tert-butyl-1-heptyl-2-methylpiperazine?
The InChIKey is BGMNJASTRSKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-8-9-10-11-18-13-15(16(3,4)5)17-12-14(18)2/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 5-tert-butyl-1-heptyl-2-methylpiperazine?
5-tert-butyl-1-heptyl-2-methylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-heptyl-2-methylpiperazine is sourced from PubChem (CID 64841619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).