[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol

C21H26N2O3 — CID 12792160

IUPAC[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
SMILESCOc1ccccc1N1CCN(C2CCOc3ccc(CO)cc32)CC1
InChIInChI=1S/C21H26N2O3/c1-25-21-5-3-2-4-19(21)23-11-9-22(10-12-23)18-8-13-26-20-7-6-16(15-24)14-17(18)20/h2-7,14,18,24H,8-13,15H2,1H3
InChIKeyHJSZERAPYCIUDM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds4

About [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol

[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol (PubChem CID 12792160) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol.

Molecular Properties

Compound Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
PubChem CID12792160
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
SMILESCOc1ccccc1N1CCN(C2CCOc3ccc(CO)cc32)CC1
InChIInChI=1S/C21H26N2O3/c1-25-21-5-3-2-4-19(21)23-11-9-22(10-12-23)18-8-13-26-20-7-6-16(15-24)14-17(18)20/h2-7,14,18,24H,8-13,15H2,1H3
InChIKeyHJSZERAPYCIUDM-UHFFFAOYSA-N
XLogP2.83
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9336093
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 41138074
(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41129285
(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 1040904
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol?
The IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol (CID 12792160) is [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol.
What is the SMILES notation for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol?
The canonical SMILES for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol is COc1ccccc1N1CCN(C2CCOc3ccc(CO)cc32)CC1.
What is the InChIKey of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol?
The InChIKey is HJSZERAPYCIUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-21-5-3-2-4-19(21)23-11-9-22(10-12-23)18-8-13-26-20-7-6-16(15-24)14-17(18)20/h2-7,14,18,24H,8-13,15H2,1H3.
What are the key properties of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol?
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol has a molecular weight of 354.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol is sourced from PubChem (CID 12792160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).