1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

C15H30N2 — CID 79445840

IUPAC1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC(C)N1CC(C)(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H30N2/c1-6-12(3)17-11-15(5,13-8-9-13)16-10-14(17,4)7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyLMYJAPGKJDJZAS-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine

1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (PubChem CID 79445840) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
PubChem CID79445840
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine
SMILESCCC(C)N1CC(C)(C2CC2)NCC1(C)CC
InChIInChI=1S/C15H30N2/c1-6-12(3)17-11-15(5,13-8-9-13)16-10-14(17,4)7-2/h12-13,16H,6-11H2,1-5H3
InChIKeyLMYJAPGKJDJZAS-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine (CID 79445840) is 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is CCC(C)N1CC(C)(C2CC2)NCC1(C)CC.
What is the InChIKey of 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is LMYJAPGKJDJZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-12(3)17-11-15(5,13-8-9-13)16-10-14(17,4)7-2/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine?
1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclopropyl-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 79445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).