1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride

C16H25ClN2O2 — CID 6457262

IUPAC1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
SMILESC=CCOc1ccc(OCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13-19-15-4-6-16(7-5-15)20-14-12-18-10-8-17(2)9-11-18;/h3-7H,1,8-14H2,2H3;1H
InChIKeyIKDAIYIYWMFDRN-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds7

About 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride

1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride (PubChem CID 6457262) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
PubChem CID6457262
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
SMILESC=CCOc1ccc(OCCN2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-13-19-15-4-6-16(7-5-15)20-14-12-18-10-8-17(2)9-11-18;/h3-7H,1,8-14H2,2H3;1H
InChIKeyIKDAIYIYWMFDRN-UHFFFAOYSA-N
XLogP2.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996187
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride (CID 6457262) is 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride is C=CCOc1ccc(OCCN2CCN(C)CC2)cc1.Cl.
What is the InChIKey of 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride?
The InChIKey is IKDAIYIYWMFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-13-19-15-4-6-16(7-5-15)20-14-12-18-10-8-17(2)9-11-18;/h3-7H,1,8-14H2,2H3;1H.
What are the key properties of 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride?
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 6457262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).