1-dodecyl-2,5-dimethylpiperazine

C18H38N2 — CID 3030143

IUPAC1-dodecyl-2,5-dimethylpiperazine
SMILESCCCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-20-16-17(2)19-15-18(20)3/h17-19H,4-16H2,1-3H3
InChIKeyDPOKBVQVUNGUHP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds11

About 1-dodecyl-2,5-dimethylpiperazine

1-dodecyl-2,5-dimethylpiperazine (PubChem CID 3030143) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-dodecyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-dodecyl-2,5-dimethylpiperazine
PubChem CID3030143
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-dodecyl-2,5-dimethylpiperazine
SMILESCCCCCCCCCCCCN1CC(C)NCC1C
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-20-16-17(2)19-15-18(20)3/h17-19H,4-16H2,1-3H3
InChIKeyDPOKBVQVUNGUHP-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
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

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1-heptyl-2-methylaziridine
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5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
CID 64980389
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
1-decyl-2,4,5-trimethylpiperazine
CID 3030120

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2,5-dimethylpiperazine?
The IUPAC name of 1-dodecyl-2,5-dimethylpiperazine (CID 3030143) is 1-dodecyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-dodecyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-dodecyl-2,5-dimethylpiperazine is CCCCCCCCCCCCN1CC(C)NCC1C.
What is the InChIKey of 1-dodecyl-2,5-dimethylpiperazine?
The InChIKey is DPOKBVQVUNGUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-20-16-17(2)19-15-18(20)3/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-dodecyl-2,5-dimethylpiperazine?
1-dodecyl-2,5-dimethylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2,5-dimethylpiperazine is sourced from PubChem (CID 3030143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).