1-(4-hexoxy-3-methylphenyl)piperazine

C17H28N2O — CID 63214255

IUPAC1-(4-hexoxy-3-methylphenyl)piperazine
SMILESCCCCCCOc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-13-20-17-8-7-16(14-15(17)2)19-11-9-18-10-12-19/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyKCMUKLRWJGJRSW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-hexoxy-3-methylphenyl)piperazine

1-(4-hexoxy-3-methylphenyl)piperazine (PubChem CID 63214255) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-hexoxy-3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-hexoxy-3-methylphenyl)piperazine
PubChem CID63214255
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-hexoxy-3-methylphenyl)piperazine
SMILESCCCCCCOc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-3-4-5-6-13-20-17-8-7-16(14-15(17)2)19-11-9-18-10-12-19/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyKCMUKLRWJGJRSW-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688
N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
CID 63214431
1-(4-ethoxy-3-methylphenyl)-1,4-diazepane
CID 63214343
1-(2-octoxyphenyl)piperazine
CID 63461603
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
1-[4-(cyclobutylmethoxy)-3-methylphenyl]-1,4-diazepane
CID 65461450
4-(3,4-dioctoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 23393076
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxy-3-methylphenyl)piperazine?
The IUPAC name of 1-(4-hexoxy-3-methylphenyl)piperazine (CID 63214255) is 1-(4-hexoxy-3-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-hexoxy-3-methylphenyl)piperazine?
The canonical SMILES for 1-(4-hexoxy-3-methylphenyl)piperazine is CCCCCCOc1ccc(N2CCNCC2)cc1C.
What is the InChIKey of 1-(4-hexoxy-3-methylphenyl)piperazine?
The InChIKey is KCMUKLRWJGJRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-4-5-6-13-20-17-8-7-16(14-15(17)2)19-11-9-18-10-12-19/h7-8,14,18H,3-6,9-13H2,1-2H3.
What are the key properties of 1-(4-hexoxy-3-methylphenyl)piperazine?
1-(4-hexoxy-3-methylphenyl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxy-3-methylphenyl)piperazine is sourced from PubChem (CID 63214255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).