1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine

C23H30N2O2 — CID 2232243

IUPAC1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
SMILESC/C=C/c1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-11,18H,12-17,19H2,1-2H3/b7-3+
InChIKeyVNWZCGDMZXMVPF-XVNBXDOJSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds8

About 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine

1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine (PubChem CID 2232243) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
PubChem CID2232243
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
SMILESC/C=C/c1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-11,18H,12-17,19H2,1-2H3/b7-3+
InChIKeyVNWZCGDMZXMVPF-XVNBXDOJSA-N
XLogP3.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]piperazine;oxalic acid
CID 2977131
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
CID 2977166
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
(E)-1-(4-benzylpiperazin-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 26535113
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20984224
1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
N-benzyl-4-(2-methoxy-4-prop-1-enylphenoxy)-N-methylbutan-1-amine
CID 2934924
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine (CID 2232243) is 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine is C/C=C/c1ccc(OCCN2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine?
The InChIKey is VNWZCGDMZXMVPF-XVNBXDOJSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-7-20-10-11-22(23(18-20)26-2)27-17-16-24-12-14-25(15-13-24)19-21-8-5-4-6-9-21/h3-11,18H,12-17,19H2,1-2H3/b7-3+.
What are the key properties of 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine?
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine has a molecular weight of 366.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 2232243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).