2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine

C17H26N2O — CID 64844633

IUPAC2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
SMILESCC1(C2CC2)CNCCN1CCCOc1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(15-8-9-15)14-18-10-12-19(17)11-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,18H,5,8-14H2,1H3
InChIKeyJZUUZZQAKRJFME-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds6

About 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine

2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine (PubChem CID 64844633) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
PubChem CID64844633
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine
SMILESCC1(C2CC2)CNCCN1CCCOc1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(15-8-9-15)14-18-10-12-19(17)11-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,18H,5,8-14H2,1H3
InChIKeyJZUUZZQAKRJFME-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
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

2,2-diethyl-1-(2-phenoxyethyl)piperazine
CID 64846196
1-(3-phenoxypropyl)piperazine
CID 2760351
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
CID 65460395
2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64845825
2-cyclopropyl-2-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845627
3-cyclopropyl-3-methyl-1-(2-phenoxyethyl)piperazine
CID 64833088
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
2-cyclopropyl-1-(3-phenoxypropyl)piperazine
CID 64833541
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyl-2-methylpiperazine
CID 106273265
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine (CID 64844633) is 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine is CC1(C2CC2)CNCCN1CCCOc1ccccc1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine?
The InChIKey is JZUUZZQAKRJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(15-8-9-15)14-18-10-12-19(17)11-5-13-20-16-6-3-2-4-7-16/h2-4,6-7,15,18H,5,8-14H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine?
2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 64844633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).