1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine

C18H30N2O — CID 82250820

IUPAC1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(OCCCCN2CCNCC2C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)18-14-19-10-12-20(18)11-4-5-13-21-17-8-6-16(3)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyRARXVCGYGSCODW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine

1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine (PubChem CID 82250820) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
PubChem CID82250820
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
SMILESCc1ccc(OCCCCN2CCNCC2C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)18-14-19-10-12-20(18)11-4-5-13-21-17-8-6-16(3)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3
InChIKeyRARXVCGYGSCODW-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.08
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-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
CID 82250822
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
2,5-dimethyl-1-[4-(4-methylphenoxy)butyl]piperazine
CID 82248507
1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
1-(azetidin-3-yl)-4-[2-(4-methylphenoxy)ethyl]piperazine
CID 66203150
1-[1-[[4-(3-aminopropoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 70487598

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine (CID 82250820) is 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine is Cc1ccc(OCCCCN2CCNCC2C(C)C)cc1.
What is the InChIKey of 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine?
The InChIKey is RARXVCGYGSCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)18-14-19-10-12-20(18)11-4-5-13-21-17-8-6-16(3)7-9-17/h6-9,15,18-19H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine?
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 82250820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).