5,5-diethyl-1-octyl-2-propan-2-ylpiperazine

C19H40N2 — CID 64860045

IUPAC5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
SMILESCCCCCCCCN1CC(CC)(CC)NCC1C(C)C
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-16-19(7-2,8-3)20-15-18(21)17(4)5/h17-18,20H,6-16H2,1-5H3
InChIKeyNBBJOPNMDBOLRU-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds10

About 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine

5,5-diethyl-1-octyl-2-propan-2-ylpiperazine (PubChem CID 64860045) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
PubChem CID64860045
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
SMILESCCCCCCCCN1CC(CC)(CC)NCC1C(C)C
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-16-19(7-2,8-3)20-15-18(21)17(4)5/h17-18,20H,6-16H2,1-5H3
InChIKeyNBBJOPNMDBOLRU-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.84
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

5,5-diethyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097167
5,5-diethyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64942397
5,5-diethyl-1-(2-methoxyethyl)-2-propan-2-ylpiperazine
CID 64860048
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5,5-diethyl-2-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432749
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
5,5-diethyl-1-[(3-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107415561
8-butan-2-yl-9-hexyl-6,9-diazaspiro[4.5]decane
CID 64875646
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine?
The IUPAC name of 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine (CID 64860045) is 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine is CCCCCCCCN1CC(CC)(CC)NCC1C(C)C.
What is the InChIKey of 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine?
The InChIKey is NBBJOPNMDBOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-16-19(7-2,8-3)20-15-18(21)17(4)5/h17-18,20H,6-16H2,1-5H3.
What are the key properties of 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine?
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-octyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64860045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).