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

C19H40N2 — CID 64839848

IUPAC2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
SMILESCCCCCCCCN1CC(C(C)C)NCC1(CC)CC
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-15-18(17(4)5)20-16-19(21,7-2)8-3/h17-18,20H,6-16H2,1-5H3
InChIKeyYMODENKMWXKXOK-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.84
Rot. Bonds10

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

2,2-diethyl-1-octyl-5-propan-2-ylpiperazine (PubChem CID 64839848) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
PubChem CID64839848
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
SMILESCCCCCCCCN1CC(C(C)C)NCC1(CC)CC
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-15-18(17(4)5)20-16-19(21,7-2)8-3/h17-18,20H,6-16H2,1-5H3
InChIKeyYMODENKMWXKXOK-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

2,2-diethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64839461
2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
CID 81113954
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
CID 64839847
1-butyl-2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64838885
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
CID 64848074
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
CID 64838682

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine?
The IUPAC name of 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine (CID 64839848) is 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine is CCCCCCCCN1CC(C(C)C)NCC1(CC)CC.
What is the InChIKey of 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine?
The InChIKey is YMODENKMWXKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-21-15-18(17(4)5)20-16-19(21,7-2)8-3/h17-18,20H,6-16H2,1-5H3.
What are the key properties of 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine?
2,2-diethyl-1-octyl-5-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 2,2-diethyl-1-octyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).