1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

C21H26N2O2 — CID 3068805

IUPAC1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COc3ccccc3C2)CC1
InChIInChI=1S/C21H26N2O2/c1-24-21-9-5-3-7-19(21)23-12-10-22(11-13-23)15-17-14-18-6-2-4-8-20(18)25-16-17/h2-9,17H,10-16H2,1H3
InChIKeyZVDVMAUXXFJTMB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine

1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 3068805) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
PubChem CID3068805
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COc3ccccc3C2)CC1
InChIInChI=1S/C21H26N2O2/c1-24-21-9-5-3-7-19(21)23-12-10-22(11-13-23)15-17-14-18-6-2-4-8-20(18)25-16-17/h2-9,17H,10-16H2,1H3
InChIKeyZVDVMAUXXFJTMB-UHFFFAOYSA-N
XLogP3.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
CID 11152526
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
CID 155521817
1-(2-methoxyethyl)-4-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperazine
CID 72854815
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2867285
1-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(5-methoxy-1-benzofuran-6-yl)piperazine
CID 18918753
1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 155532148
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine (CID 3068805) is 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC2COc3ccccc3C2)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is ZVDVMAUXXFJTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-21-9-5-3-7-19(21)23-12-10-22(11-13-23)15-17-14-18-6-2-4-8-20(18)25-16-17/h2-9,17H,10-16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine?
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 338.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3068805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).