1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one

C22H34N2O3 — CID 134787221

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
SMILESCOc1cc(C)c2c(c1C)C[C@H](C(C)C(=O)N1CCN(CCO)CC1)CC2
InChIInChI=1S/C22H34N2O3/c1-15-13-21(27-4)17(3)20-14-18(5-6-19(15)20)16(2)22(26)24-9-7-23(8-10-24)11-12-25/h13,16,18,25H,5-12,14H2,1-4H3/t16?,18-/m1/s1
InChIKeyUYJCXAMIYAOJLV-UHUGOGIASA-N
MW374.53 g/mol
LogP2.19
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one (PubChem CID 134787221) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
PubChem CID134787221
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
SMILESCOc1cc(C)c2c(c1C)C[C@H](C(C)C(=O)N1CCN(CCO)CC1)CC2
InChIInChI=1S/C22H34N2O3/c1-15-13-21(27-4)17(3)20-14-18(5-6-19(15)20)16(2)22(26)24-9-7-23(8-10-24)11-12-25/h13,16,18,25H,5-12,14H2,1-4H3/t16?,18-/m1/s1
InChIKeyUYJCXAMIYAOJLV-UHUGOGIASA-N
XLogP2.19
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one with MolForge

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Related Compounds

2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 3725859
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one
CID 78450062
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 3719827
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
(2S)-2-[(2R)-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 7135446
(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
CID 23629035

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one (CID 134787221) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one is COc1cc(C)c2c(c1C)C[C@H](C(C)C(=O)N1CCN(CCO)CC1)CC2.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one?
The InChIKey is UYJCXAMIYAOJLV-UHUGOGIASA-N. The full InChI is InChI=1S/C22H34N2O3/c1-15-13-21(27-4)17(3)20-14-18(5-6-19(15)20)16(2)22(26)24-9-7-23(8-10-24)11-12-25/h13,16,18,25H,5-12,14H2,1-4H3/t16?,18-/m1/s1.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one has a molecular weight of 374.53 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one is sourced from PubChem (CID 134787221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).