1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol

C17H28N2O2 — CID 82267582

IUPAC1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCCOc1c(C)cc(C)cc1C(O)CN1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-9-21-17-14(3)10-13(2)11-15(17)16(20)12-19-7-5-18-6-8-19/h10-11,16,18,20H,4-9,12H2,1-3H3
InChIKeyRRLDMGCTYAMHEM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.03
Rot. Bonds6

About 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol

1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 82267582) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
PubChem CID82267582
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
SMILESCCCOc1c(C)cc(C)cc1C(O)CN1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-4-9-21-17-14(3)10-13(2)11-15(17)16(20)12-19-7-5-18-6-8-19/h10-11,16,18,20H,4-9,12H2,1-3H3
InChIKeyRRLDMGCTYAMHEM-UHFFFAOYSA-N
XLogP2.03
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3878762
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
4-(1-hydroxy-2-piperazin-1-ylethyl)-2,3-dimethylphenol
CID 82266503
6-(3,5-dimethyl-2-propoxyphenyl)heptane-3,4-diol
CID 83942268
2-piperazin-1-yl-1-(2-propoxynaphthalen-1-yl)ethanol
CID 82263109
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
3-(3,5-dimethyl-2-propoxyphenyl)hexanoic acid
CID 83959167
1-(2-phenylmethoxy-5-propylphenyl)-2-piperazin-1-ylethanol
CID 4676253

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol (CID 82267582) is 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol is CCCOc1c(C)cc(C)cc1C(O)CN1CCNCC1.
What is the InChIKey of 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is RRLDMGCTYAMHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-21-17-14(3)10-13(2)11-15(17)16(20)12-19-7-5-18-6-8-19/h10-11,16,18,20H,4-9,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol?
1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 292.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82267582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).