1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine

C21H26N2O2 — CID 72877838

IUPAC1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine
SMILESCOc1ccc2c(c1)OCC(Cc1cccc(N3CCNCC3)c1)C2
InChIInChI=1S/C21H26N2O2/c1-24-20-6-5-18-12-17(15-25-21(18)14-20)11-16-3-2-4-19(13-16)23-9-7-22-8-10-23/h2-6,13-14,17,22H,7-12,15H2,1H3
InChIKeySHBHOITWEOSBFY-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.90
Rot. Bonds4

About 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine

1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine (PubChem CID 72877838) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine
PubChem CID72877838
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine
SMILESCOc1ccc2c(c1)OCC(Cc1cccc(N3CCNCC3)c1)C2
InChIInChI=1S/C21H26N2O2/c1-24-20-6-5-18-12-17(15-25-21(18)14-20)11-16-3-2-4-19(13-16)23-9-7-22-8-10-23/h2-6,13-14,17,22H,7-12,15H2,1H3
InChIKeySHBHOITWEOSBFY-UHFFFAOYSA-N
XLogP2.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine?
The IUPAC name of 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine (CID 72877838) is 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine?
The canonical SMILES for 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine is COc1ccc2c(c1)OCC(Cc1cccc(N3CCNCC3)c1)C2.
What is the InChIKey of 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine?
The InChIKey is SHBHOITWEOSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-20-6-5-18-12-17(15-25-21(18)14-20)11-16-3-2-4-19(13-16)23-9-7-22-8-10-23/h2-6,13-14,17,22H,7-12,15H2,1H3.
What are the key properties of 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine?
1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine has a molecular weight of 338.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]piperazine is sourced from PubChem (CID 72877838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).