2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine

C18H38N2 — CID 64837896

IUPAC2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
SMILESCCCCCCCCCN1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C18H38N2/c1-6-7-8-9-10-11-12-13-20-14-17(16(2)3)19-15-18(20,4)5/h16-17,19H,6-15H2,1-5H3
InChIKeyCRZAJXCDQJQOBP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds9

About 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine

2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine (PubChem CID 64837896) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
PubChem CID64837896
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
SMILESCCCCCCCCCN1CC(C(C)C)NCC1(C)C
InChIInChI=1S/C18H38N2/c1-6-7-8-9-10-11-12-13-20-14-17(16(2)3)19-15-18(20,4)5/h16-17,19H,6-15H2,1-5H3
InChIKeyCRZAJXCDQJQOBP-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
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

1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
CID 64839848
2,2-diethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64839461
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
2,2-dimethyl-5-propan-2-yl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518832
2,2-dimethyl-1-(3-methylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 64837894
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
1-butyl-2-cyclopropyl-2-methyl-5-propan-2-ylpiperazine
CID 64838885
2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
CID 64840227
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
CID 64861163
5-butan-2-yl-1-(3-ethylsulfonylpropyl)-2,2-dimethylpiperazine
CID 65097377
5-butan-2-yl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80696297

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine?
The IUPAC name of 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine (CID 64837896) is 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine is CCCCCCCCCN1CC(C(C)C)NCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine?
The InChIKey is CRZAJXCDQJQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-7-8-9-10-11-12-13-20-14-17(16(2)3)19-15-18(20,4)5/h16-17,19H,6-15H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine?
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64837896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).