1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine

C18H30N2O — CID 82250822

IUPAC1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
SMILESCc1ccc(OCCCN2CCNCC2CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)13-17-14-19-9-11-20(17)10-4-12-21-18-7-5-16(3)6-8-18/h5-8,15,17,19H,4,9-14H2,1-3H3
InChIKeyNSVBONUTVACKLT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine

1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine (PubChem CID 82250822) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
PubChem CID82250822
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine
SMILESCc1ccc(OCCCN2CCNCC2CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)13-17-14-19-9-11-20(17)10-4-12-21-18-7-5-16(3)6-8-18/h5-8,15,17,19H,4,9-14H2,1-3H3
InChIKeyNSVBONUTVACKLT-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-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-(2-fluoroethyl)-2-(2-methylpropyl)piperazine
CID 80694838
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
CID 50999666
2-(2-methylpropyl)-1-(3-methylsulfonylpropyl)piperazine
CID 64844470
2-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64846847
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
4-[2-[2-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 82245440
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine (CID 82250822) is 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine is Cc1ccc(OCCCN2CCNCC2CC(C)C)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine?
The InChIKey is NSVBONUTVACKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)13-17-14-19-9-11-20(17)10-4-12-21-18-7-5-16(3)6-8-18/h5-8,15,17,19H,4,9-14H2,1-3H3.
What are the key properties of 1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine?
1-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine 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-[3-(4-methylphenoxy)propyl]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 82250822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).