2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine

C16H32N2O — CID 106458816

IUPAC2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C2CC2)NCC1C(C)CC
InChIInChI=1S/C16H32N2O/c1-4-9-19-10-8-18-12-15(14-6-7-14)17-11-16(18)13(3)5-2/h13-17H,4-12H2,1-3H3
InChIKeyHJEMFQAYSPINOR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds8

About 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine

2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine (PubChem CID 106458816) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
PubChem CID106458816
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C2CC2)NCC1C(C)CC
InChIInChI=1S/C16H32N2O/c1-4-9-19-10-8-18-12-15(14-6-7-14)17-11-16(18)13(3)5-2/h13-17H,4-12H2,1-3H3
InChIKeyHJEMFQAYSPINOR-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
2-butan-2-yl-5-cyclopropyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862422
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
2-butan-2-yl-5-cyclopropyl-1-propan-2-ylpiperazine
CID 64860502
2-butan-2-yl-5-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013068
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056103
2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
CID 64859732
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine (CID 106458816) is 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CC(C2CC2)NCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine?
The InChIKey is HJEMFQAYSPINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-19-10-8-18-12-15(14-6-7-14)17-11-16(18)13(3)5-2/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine?
2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-cyclopropyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106458816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).