1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol

C17H28N2O2 — CID 114447501

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(N2CCN(CC(C)(O)C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17(3,20)13-18-9-11-19(12-10-18)15-5-7-16(21-4)8-6-15/h5-8,14,20H,9-13H2,1-4H3
InChIKeyGUPDFFQSUNWPJB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.22
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 114447501) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID114447501
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(N2CCN(CC(C)(O)C(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)17(3,20)13-18-9-11-19(12-10-18)15-5-7-16(21-4)8-6-15/h5-8,14,20H,9-13H2,1-4H3
InChIKeyGUPDFFQSUNWPJB-UHFFFAOYSA-N
XLogP2.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161464
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 114495326

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol (CID 114447501) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol is COc1ccc(N2CCN(CC(C)(O)C(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is GUPDFFQSUNWPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)17(3,20)13-18-9-11-19(12-10-18)15-5-7-16(21-4)8-6-15/h5-8,14,20H,9-13H2,1-4H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).