1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine

C30H32F2N2O — CID 171637426

IUPAC1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc2c(c1)CCC(c1ccc(F)cc1F)=C2c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C30H32F2N2O/c1-20(2)33-14-16-34(17-15-33)24-8-4-21(5-9-24)30-26-13-10-25(35-3)18-22(26)6-11-28(30)27-12-7-23(31)19-29(27)32/h4-5,7-10,12-13,18-20H,6,11,14-17H2,1-3H3
InChIKeyOKVQUFYGGKKRCA-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.41
Rot. Bonds5

About 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine

1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine (PubChem CID 171637426) has the molecular formula C30H32F2N2O and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine
PubChem CID171637426
Molecular FormulaC30H32F2N2O
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine
SMILESCOc1ccc2c(c1)CCC(c1ccc(F)cc1F)=C2c1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C30H32F2N2O/c1-20(2)33-14-16-34(17-15-33)24-8-4-21(5-9-24)30-26-13-10-25(35-3)18-22(26)6-11-28(30)27-12-7-23(31)19-29(27)32/h4-5,7-10,12-13,18-20H,6,11,14-17H2,1-3H3
InChIKeyOKVQUFYGGKKRCA-UHFFFAOYSA-N
XLogP6.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 174285585
CID 174285585
[6-(4-methoxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-yl]boronic acid;hydrochloride
CID 171637515
1-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenyl]-4-propan-2-ylpiperazine
CID 171637428
methyl 6-(4-methoxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637487
6-(4-hydroxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalen-2-ol
CID 171637557
[4-[7-methoxy-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3,4-dihydronaphthalen-2-yl]phenyl]boronic acid;hydrochloride
CID 171637490
(3S)-1-[4-[2-(2-chloro-4-fluorophenyl)-7-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]pyrrolidin-3-amine
CID 142351459
methyl 6-bromo-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637549
[4-[7-hydroxy-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3,4-dihydronaphthalen-2-yl]phenyl]boronic acid
CID 174285518
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-[4-(6-bromo-2-methoxy-7-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-4-(dimethoxymethyl)piperidine
CID 170705584
2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 10869393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine (CID 171637426) is 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine is COc1ccc2c(c1)CCC(c1ccc(F)cc1F)=C2c1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine?
The InChIKey is OKVQUFYGGKKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2O/c1-20(2)33-14-16-34(17-15-33)24-8-4-21(5-9-24)30-26-13-10-25(35-3)18-22(26)6-11-28(30)27-12-7-23(31)19-29(27)32/h4-5,7-10,12-13,18-20H,6,11,14-17H2,1-3H3.
What are the key properties of 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine?
1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine has a molecular weight of 474.60 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-difluorophenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]phenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171637426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).