5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine

C16H32N2 — CID 113287832

IUPAC5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
SMILESCC(C)CCCCN1CC(C)(C2CC2)NCC1C
InChIInChI=1S/C16H32N2/c1-13(2)7-5-6-10-18-12-16(4,15-8-9-15)17-11-14(18)3/h13-15,17H,5-12H2,1-4H3
InChIKeyJCQBUFBYYKXCMP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine

5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine (PubChem CID 113287832) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
PubChem CID113287832
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
SMILESCC(C)CCCCN1CC(C)(C2CC2)NCC1C
InChIInChI=1S/C16H32N2/c1-13(2)7-5-6-10-18-12-16(4,15-8-9-15)17-11-14(18)3/h13-15,17H,5-12H2,1-4H3
InChIKeyJCQBUFBYYKXCMP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
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

4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097008
5-cyclopropyl-2,5-dimethyl-1-(4-phenylbutyl)piperazine
CID 114334950
1-(2-cyclohexylethyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64934954
5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine
CID 114097818
2,5-dicyclopropyl-5-methyl-1-pentylpiperazine
CID 64877520
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
5-cyclopropyl-2-ethyl-5-methyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64875764
5-cyclopropyl-2,5-dimethyl-1-(2-propylsulfonylethyl)piperazine
CID 106733202
5-cyclopropyl-1-ethyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64876945
5-cyclopropyl-2,5-dimethyl-1-propan-2-ylpiperazine
CID 64875943
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine?
The IUPAC name of 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine (CID 113287832) is 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine is CC(C)CCCCN1CC(C)(C2CC2)NCC1C.
What is the InChIKey of 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine?
The InChIKey is JCQBUFBYYKXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)7-5-6-10-18-12-16(4,15-8-9-15)17-11-14(18)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine?
5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine is sourced from PubChem (CID 113287832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).