1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine

C33H32FNO3 — CID 22895159

IUPAC1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine
SMILESCOc1cc(OC)c2c3c(cc(C)c2c1)C=CC(c1ccc(N2CCCCC2)cc1)(c1ccccc1F)O3
InChIInChI=1S/C33H32FNO3/c1-22-19-23-15-16-33(28-9-5-6-10-29(28)34,24-11-13-25(14-12-24)35-17-7-4-8-18-35)38-32(23)31-27(22)20-26(36-2)21-30(31)37-3/h5-6,9-16,19-21H,4,7-8,17-18H2,1-3H3
InChIKeyBIRRDIOUTPUVJI-UHFFFAOYSA-N
MW509.62 g/mol
LogP7.64
Rot. Bonds5

About 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine

1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine (PubChem CID 22895159) has the molecular formula C33H32FNO3 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine
PubChem CID22895159
Molecular FormulaC33H32FNO3
Molecular Weight509.62 g/mol
Exact Mass509.24
IUPAC Name1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine
SMILESCOc1cc(OC)c2c3c(cc(C)c2c1)C=CC(c1ccc(N2CCCCC2)cc1)(c1ccccc1F)O3
InChIInChI=1S/C33H32FNO3/c1-22-19-23-15-16-33(28-9-5-6-10-29(28)34,24-11-13-25(14-12-24)35-17-7-4-8-18-35)38-32(23)31-27(22)20-26(36-2)21-30(31)37-3/h5-6,9-16,19-21H,4,7-8,17-18H2,1-3H3
InChIKeyBIRRDIOUTPUVJI-UHFFFAOYSA-N
XLogP7.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[1-[4-(Dimethylamino)phenyl]-3-piperidin-1-ylpropyl]-5,7-dimethoxy-4-phenylchromen-2-one
CID 16746260
8-[1-[4-(Dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl]-5,7-dimethoxy-4-phenyl-1-benzopyran-2-one
CID 16746411
6-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
CID 102076461
6-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
CID 145952894
4,5,14,15,16-pentamethoxy-10-methyl-6-[4-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
CID 145974809
8-[1-[4-(Dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl]-5,7-dimethoxy-4-phenylchromen-2-one
CID 16746285
6,8-dimethoxy-1,3-dimethyl-2-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline
CID 44570649
4,5,14,15,16-Pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene
CID 162964712
1-(4-Fluorophenyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazine
CID 1376468
(3S)-2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 44570647
(3R)-2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 44570648
6,8-dimethoxy-1,3-dimethyl-2-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline
CID 44570650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine?
The IUPAC name of 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine (CID 22895159) is 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine.
What is the SMILES notation for 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine?
The canonical SMILES for 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine is COc1cc(OC)c2c3c(cc(C)c2c1)C=CC(c1ccc(N2CCCCC2)cc1)(c1ccccc1F)O3.
What is the InChIKey of 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine?
The InChIKey is BIRRDIOUTPUVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FNO3/c1-22-19-23-15-16-33(28-9-5-6-10-29(28)34,24-11-13-25(14-12-24)35-17-7-4-8-18-35)38-32(23)31-27(22)20-26(36-2)21-30(31)37-3/h5-6,9-16,19-21H,4,7-8,17-18H2,1-3H3.
What are the key properties of 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine?
1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine has a molecular weight of 509.62 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluorophenyl)-8,10-dimethoxy-6-methylbenzo[h]chromen-2-yl]phenyl]piperidine is sourced from PubChem (CID 22895159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).