1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C19H30N2O2 — CID 82266866

IUPAC1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)CN2CCNCC2)c1OC(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)23-19-15(4)7-6-14(3)17(19)18(22)16(5)12-21-10-8-20-9-11-21/h6-7,13,16,20H,8-12H2,1-5H3
InChIKeyUKJXCMUFEAYPMX-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.81
Rot. Bonds6

About 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82266866) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82266866
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C)c(C(=O)C(C)CN2CCNCC2)c1OC(C)C
InChIInChI=1S/C19H30N2O2/c1-13(2)23-19-15(4)7-6-14(3)17(19)18(22)16(5)12-21-10-8-20-9-11-21/h6-7,13,16,20H,8-12H2,1-5H3
InChIKeyUKJXCMUFEAYPMX-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911
2-methyl-1-(4-methylnaphthalen-1-yl)-3-piperazin-1-ylpropan-1-ol
CID 82263132

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82266866) is 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is Cc1ccc(C)c(C(=O)C(C)CN2CCNCC2)c1OC(C)C.
What is the InChIKey of 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is UKJXCMUFEAYPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)23-19-15(4)7-6-14(3)17(19)18(22)16(5)12-21-10-8-20-9-11-21/h6-7,13,16,20H,8-12H2,1-5H3.
What are the key properties of 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).