6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol

C22H28N2O3 — CID 21439796

IUPAC6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(N1CCN(c3ccccc3OC)CC1)C(O)C2
InChIInChI=1S/C22H28N2O3/c1-26-18-8-7-16-15-21(25)20(14-17(16)13-18)24-11-9-23(10-12-24)19-5-3-4-6-22(19)27-2/h3-8,13,20-21,25H,9-12,14-15H2,1-2H3
InChIKeyZWOZHHCKUCCDCG-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.35
Rot. Bonds4

About 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol

6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 21439796) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID21439796
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(N1CCN(c3ccccc3OC)CC1)C(O)C2
InChIInChI=1S/C22H28N2O3/c1-26-18-8-7-16-15-21(25)20(14-17(16)13-18)24-11-9-23(10-12-24)19-5-3-4-6-22(19)27-2/h3-8,13,20-21,25H,9-12,14-15H2,1-2H3
InChIKeyZWOZHHCKUCCDCG-UHFFFAOYSA-N
XLogP2.35
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 54362552
(2S,3S)-5,8-dichloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 54490932
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
(1R,2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol
CID 15860119
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine
CID 59144709
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
CID 82171487
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 139061206

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 21439796) is 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol is COc1ccc2c(c1)CC(N1CCN(c3ccccc3OC)CC1)C(O)C2.
What is the InChIKey of 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is ZWOZHHCKUCCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-18-8-7-16-15-21(25)20(14-17(16)13-18)24-11-9-23(10-12-24)19-5-3-4-6-22(19)27-2/h3-8,13,20-21,25H,9-12,14-15H2,1-2H3.
What are the key properties of 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 368.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 21439796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).