1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C29H34N2O2 — CID 12634871

IUPAC1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O2/c1-32-28-16-14-27(15-17-28)29(26-12-6-3-7-13-26)33-24-23-31-21-19-30(20-22-31)18-8-11-25-9-4-2-5-10-25/h2-17,29H,18-24H2,1H3/b11-8+
InChIKeyNXEIIWOLSIXINJ-DHZHZOJOSA-N
MW442.60 g/mol
LogP5.13
Rot. Bonds10

About 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 12634871) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID12634871
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O2/c1-32-28-16-14-27(15-17-28)29(26-12-6-3-7-13-26)33-24-23-31-21-19-30(20-22-31)18-8-11-25-9-4-2-5-10-25/h2-17,29H,18-24H2,1H3/b11-8+
InChIKeyNXEIIWOLSIXINJ-DHZHZOJOSA-N
XLogP5.13
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10811697
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;(Z)-but-2-enedioic acid
CID 70573063
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;hydrochloride
CID 71300842
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10789674
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
2-[(E)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]prop-1-enyl]phenol
CID 10647833
2-[[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 44529123
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
2-(4-methoxyphenyl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 132763457

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 12634871) is 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is NXEIIWOLSIXINJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-32-28-16-14-27(15-17-28)29(26-12-6-3-7-13-26)33-24-23-31-21-19-30(20-22-31)18-8-11-25-9-4-2-5-10-25/h2-17,29H,18-24H2,1H3/b11-8+.
What are the key properties of 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 442.60 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 12634871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).