1-(3-phenoxypropyl)-2-propan-2-ylpiperazine

C16H26N2O — CID 64832939

IUPAC1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCCOc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(2)16-13-17-9-11-18(16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyFUKJMUVFQDIFMU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds6

About 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine

1-(3-phenoxypropyl)-2-propan-2-ylpiperazine (PubChem CID 64832939) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
PubChem CID64832939
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCCOc1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(2)16-13-17-9-11-18(16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyFUKJMUVFQDIFMU-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
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

1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
2-cyclopropyl-1-(3-phenoxypropyl)piperazine
CID 64833541
1-(3-phenoxypropyl)piperazine-2-carbonitrile
CID 79085976
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
CID 82250822
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
6-methyl-1-(2-phenoxyethyl)-1,4-diazepane
CID 55017624

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine (CID 64832939) is 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1CCCOc1ccccc1.
What is the InChIKey of 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
The InChIKey is FUKJMUVFQDIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(2)16-13-17-9-11-18(16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine?
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64832939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).