1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine

C21H26N2O2 — CID 171282129

IUPAC1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C21H26N2O2/c1-3-19(23-13-11-22-12-14-23)18-9-10-20(24-2)21(15-18)25-16-17-7-5-4-6-8-17/h3-10,15,19,22H,1,11-14,16H2,2H3/t19-/m0/s1
InChIKeyLRCWEVPWNVBTDN-IBGZPJMESA-N
MW338.45 g/mol
LogP3.41
Rot. Bonds7

About 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine

1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine (PubChem CID 171282129) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
PubChem CID171282129
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
SMILESC=C[C@@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C21H26N2O2/c1-3-19(23-13-11-22-12-14-23)18-9-10-20(24-2)21(15-18)25-16-17-7-5-4-6-8-17/h3-10,15,19,22H,1,11-14,16H2,2H3/t19-/m0/s1
InChIKeyLRCWEVPWNVBTDN-IBGZPJMESA-N
XLogP3.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282960
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171304822
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
1-[(1S)-1-(4-methoxy-3-methylphenyl)prop-2-enyl]piperazine
CID 171282576
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183658
1-[(1R)-2,2,2-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine
CID 171181228
1-[(1R)-3-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propyl]piperazine
CID 171172841
1-[(R)-(4-methoxy-3-phenylmethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171294768
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine (CID 171282129) is 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine is C=C[C@@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is LRCWEVPWNVBTDN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-19(23-13-11-22-12-14-23)18-9-10-20(24-2)21(15-18)25-16-17-7-5-4-6-8-17/h3-10,15,19,22H,1,11-14,16H2,2H3/t19-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine?
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 338.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 171282129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).