1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine

C23H30N2O3 — CID 54414791

IUPAC1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine
SMILESCOc1cc2c(cc1OC)OC(CN1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C23H30N2O3/c1-26-22-14-19-8-9-20(28-21(19)15-23(22)27-2)17-25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-7,14-15,20H,8-13,16-17H2,1-2H3
InChIKeyVWQMRVSONIUVGM-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.22
Rot. Bonds6

About 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine

1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine (PubChem CID 54414791) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine
PubChem CID54414791
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine
SMILESCOc1cc2c(cc1OC)OC(CN1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C23H30N2O3/c1-26-22-14-19-8-9-20(28-21(19)15-23(22)27-2)17-25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-7,14-15,20H,8-13,16-17H2,1-2H3
InChIKeyVWQMRVSONIUVGM-UHFFFAOYSA-N
XLogP3.22
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine 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

4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
[(2R)-6-methoxy-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl] ethanesulfonate
CID 90748209
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 143582631
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
[5-[(4-benzylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425102
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-2-deuterio-5,6-dimethoxy-3H-inden-1-one
CID 140604647
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
(3S)-1-benzyl-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-3-amine
CID 30618496

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine (CID 54414791) is 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine is COc1cc2c(cc1OC)OC(CN1CCN(Cc3ccccc3)CC1)CC2.
What is the InChIKey of 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine?
The InChIKey is VWQMRVSONIUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-26-22-14-19-8-9-20(28-21(19)15-23(22)27-2)17-25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-7,14-15,20H,8-13,16-17H2,1-2H3.
What are the key properties of 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine?
1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine has a molecular weight of 382.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]piperazine is sourced from PubChem (CID 54414791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).