2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine

C15H30N2O — CID 64862424

IUPAC2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1CCCOC
InChIInChI=1S/C15H30N2O/c1-4-12(2)15-10-16-14(13-6-7-13)11-17(15)8-5-9-18-3/h12-16H,4-11H2,1-3H3
InChIKeyIWQYWSNRPZVIJM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine

2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine (PubChem CID 64862424) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
PubChem CID64862424
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
SMILESCCC(C)C1CNC(C2CC2)CN1CCCOC
InChIInChI=1S/C15H30N2O/c1-4-12(2)15-10-16-14(13-6-7-13)11-17(15)8-5-9-18-3/h12-16H,4-11H2,1-3H3
InChIKeyIWQYWSNRPZVIJM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
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-(2-propoxyethyl)piperazine
CID 106458816
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-butan-2-yl-1-(3-methoxypropyl)-5-phenylpiperazine
CID 64876502
5-cyclopropyl-1-(4-methylpentyl)-2-propan-2-ylpiperazine
CID 64941954
2-butan-2-yl-5-cyclopropyl-1-propan-2-ylpiperazine
CID 64860502
2-butan-2-yl-5-cyclopropyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107056103
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2-propan-2-ylpiperazine
CID 65097323
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-butan-2-yl-5-cyclopropylpiperazine
CID 79559332

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine (CID 64862424) is 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine is CCC(C)C1CNC(C2CC2)CN1CCCOC.
What is the InChIKey of 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine?
The InChIKey is IWQYWSNRPZVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-12(2)15-10-16-14(13-6-7-13)11-17(15)8-5-9-18-3/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine?
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 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-(3-methoxypropyl)piperazine is sourced from PubChem (CID 64862424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).