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

C29H34N2O — CID 54531771

IUPAC1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCc1ccc(C(OCCN2CCN(CC=Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h2-17,29H,18-24H2,1H3
InChIKeyYXBBKRPEQRPZSX-UHFFFAOYSA-N
MW426.60 g/mol
LogP5.43
Rot. Bonds9

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

1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 54531771) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID54531771
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCc1ccc(C(OCCN2CCN(CC=Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H34N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h2-17,29H,18-24H2,1H3
InChIKeyYXBBKRPEQRPZSX-UHFFFAOYSA-N
XLogP5.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 12634871
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
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10789674
1-[(4-fluorophenyl)-(4-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 59781381
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
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-4-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperazine
CID 164597880
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine (CID 54531771) is 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine is Cc1ccc(C(OCCN2CCN(CC=Cc3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is YXBBKRPEQRPZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-25-14-16-28(17-15-25)29(27-12-6-3-7-13-27)32-24-23-31-21-19-30(20-22-31)18-8-11-26-9-4-2-5-10-26/h2-17,29H,18-24H2,1H3.
What are the key properties of 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 426.60 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 54531771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).