1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine

C17H26N2O — CID 170862374

IUPAC1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
SMILESC=CCOc1ccccc1CCCN1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-3-15-20-17-9-5-4-7-16(17)8-6-10-19-13-11-18(2)12-14-19/h3-5,7,9H,1,6,8,10-15H2,2H3
InChIKeyUILITIAYFDWYJL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.43
Rot. Bonds7

About 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine

1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine (PubChem CID 170862374) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
PubChem CID170862374
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
SMILESC=CCOc1ccccc1CCCN1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-3-15-20-17-9-5-4-7-16(17)8-6-10-19-13-11-18(2)12-14-19/h3-5,7,9H,1,6,8,10-15H2,2H3
InChIKeyUILITIAYFDWYJL-UHFFFAOYSA-N
XLogP2.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]pyrazine
CID 170863223
N,1-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-amine
CID 2845950
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
CID 170863354
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
3-morpholin-4-yl-N-[(2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 2214046
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111555967
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine (CID 170862374) is 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine is C=CCOc1ccccc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine?
The InChIKey is UILITIAYFDWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-15-20-17-9-5-4-7-16(17)8-6-10-19-13-11-18(2)12-14-19/h3-5,7,9H,1,6,8,10-15H2,2H3.
What are the key properties of 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine?
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine is sourced from PubChem (CID 170862374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).