2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine

C15H30N2O — CID 64839471

IUPAC2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCOCCCN1CC(C(C)C)NCC1(C)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)14-10-17(8-5-9-18-4)15(3,11-16-14)13-6-7-13/h12-14,16H,5-11H2,1-4H3
InChIKeyVTMLCXVGQGIAHB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds6

About 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine

2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64839471) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID64839471
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCOCCCN1CC(C(C)C)NCC1(C)C1CC1
InChIInChI=1S/C15H30N2O/c1-12(2)14-10-17(8-5-9-18-4)15(3,11-16-14)13-6-7-13/h12-14,16H,5-11H2,1-4H3
InChIKeyVTMLCXVGQGIAHB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N-(3-methoxypropyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556244
3-Cyclopropyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64831509
2-Cyclopropyl-5-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64838981
2-Cyclopropyl-5,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64839132
5,5-Dimethyl-2-(2-methylpropyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64839509
2-Cyclopropyl-5-propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64840018
2-Cyclopropyl-2-methyl-5-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840054
2-Cyclopropyl-2-methyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840766
2-Cyclopropyl-5-ethyl-2-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842584
2-Cyclopropyl-5-ethyl-2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64842774
2-Cyclopropyl-2,5,5-trimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64843452
2-Cyclopropyl-5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64843502

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine (CID 64839471) is 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine is COCCCN1CC(C(C)C)NCC1(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is VTMLCXVGQGIAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)14-10-17(8-5-9-18-4)15(3,11-16-14)13-6-7-13/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine?
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64839471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).