1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride

C23H32Cl2N2O — CID 67328696

IUPAC1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride
SMILESCC(C)c1ccc(OCC=Cc2ccc(CN3CCNCC3)cc2)cc1.Cl.Cl
InChIInChI=1S/C23H30N2O.2ClH/c1-19(2)22-9-11-23(12-10-22)26-17-3-4-20-5-7-21(8-6-20)18-25-15-13-24-14-16-25;;/h3-12,19,24H,13-18H2,1-2H3;2*1H
InChIKeyDQZSRYGSJCCSKP-UHFFFAOYSA-N
MW423.43 g/mol
LogP5.15
Rot. Bonds7

About 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride

1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride (PubChem CID 67328696) has the molecular formula C23H32Cl2N2O and a molecular weight of 423.43 g/mol. Its IUPAC name is 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride
PubChem CID67328696
Molecular FormulaC23H32Cl2N2O
Molecular Weight423.43 g/mol
Exact Mass422.19
IUPAC Name1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride
SMILESCC(C)c1ccc(OCC=Cc2ccc(CN3CCNCC3)cc2)cc1.Cl.Cl
InChIInChI=1S/C23H30N2O.2ClH/c1-19(2)22-9-11-23(12-10-22)26-17-3-4-20-5-7-21(8-6-20)18-25-15-13-24-14-16-25;;/h3-12,19,24H,13-18H2,1-2H3;2*1H
InChIKeyDQZSRYGSJCCSKP-UHFFFAOYSA-N
XLogP5.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
4-[[4-(3-phenoxyprop-1-enyl)phenyl]methyl]piperazine-1-carboxylic acid
CID 173483918
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
tert-butyl formate;1-[4-(piperazin-1-ylmethyl)phenyl]ethanamine
CID 174941750
2-[4-(aminomethyl)phenyl]-3-[4-(piperazin-1-ylmethyl)phenoxy]propanal
CID 174666469
2-[4-(piperazin-1-ylmethyl)phenoxy]acetic acid
CID 83525519
4-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 9109359
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
1-[(3-methoxy-5-propan-2-ylphenyl)methyl]piperazine
CID 117374507

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride (CID 67328696) is 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride is CC(C)c1ccc(OCC=Cc2ccc(CN3CCNCC3)cc2)cc1.Cl.Cl.
What is the InChIKey of 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride?
The InChIKey is DQZSRYGSJCCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.2ClH/c1-19(2)22-9-11-23(12-10-22)26-17-3-4-20-5-7-21(8-6-20)18-25-15-13-24-14-16-25;;/h3-12,19,24H,13-18H2,1-2H3;2*1H.
What are the key properties of 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride?
1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 67328696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).