2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine

C15H28N2O — CID 64859583

IUPAC2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
SMILESCOCCCN1CC(C2CC2)NCC1(C)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(13-6-7-13)11-16-14(12-4-5-12)10-17(15)8-3-9-18-2/h12-14,16H,3-11H2,1-2H3
InChIKeyMJZJGZQSGMRWJE-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds6

About 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine

2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine (PubChem CID 64859583) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
PubChem CID64859583
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine
SMILESCOCCCN1CC(C2CC2)NCC1(C)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(13-6-7-13)11-16-14(12-4-5-12)10-17(15)8-3-9-18-2/h12-14,16H,3-11H2,1-2H3
InChIKeyMJZJGZQSGMRWJE-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
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

2,5-dicyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698037
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propylpiperazine
CID 64839994
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
CID 64839471
2,5-dicyclopropyl-2-methyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64862471
2,5-dicyclopropyl-2-methyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64862475
5-butan-2-yl-2-cyclopropyl-1-(2-methoxyethyl)-2-methylpiperazine
CID 64848079
1-butyl-2-cyclopropyl-2,5-dimethylpiperazine
CID 64844568
2,5-dicyclopropyl-2-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82872478
1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
1-[(5-chlorothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64859591
2-cyclopropyl-1-(2-methoxyethyl)-2,5,5-trimethylpiperazine
CID 64841123
1-[(3-bromothiophen-2-yl)methyl]-2,5-dicyclopropyl-2-methylpiperazine
CID 64860355

Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine?
The IUPAC name of 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine (CID 64859583) is 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine is COCCCN1CC(C2CC2)NCC1(C)C1CC1.
What is the InChIKey of 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine?
The InChIKey is MJZJGZQSGMRWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(13-6-7-13)11-16-14(12-4-5-12)10-17(15)8-3-9-18-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine?
2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-1-(3-methoxypropyl)-2-methylpiperazine is sourced from PubChem (CID 64859583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).