1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol

C17H28N2O2 — CID 82264598

IUPAC1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCc1cc(OC(C)C)ccc1C(O)C(C)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-5-6-16(13(3)11-15)17(20)14(4)19-9-7-18-8-10-19/h5-6,11-12,14,17-18,20H,7-10H2,1-4H3
InChIKeyKGLBNNVFIRHZGD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol

1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 82264598) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
PubChem CID82264598
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
SMILESCc1cc(OC(C)C)ccc1C(O)C(C)N1CCNCC1
InChIInChI=1S/C17H28N2O2/c1-12(2)21-15-5-6-16(13(3)11-15)17(20)14(4)19-9-7-18-8-10-19/h5-6,11-12,14,17-18,20H,7-10H2,1-4H3
InChIKeyKGLBNNVFIRHZGD-UHFFFAOYSA-N
XLogP2.11
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
1-[(1R)-1-(4-methoxy-2-methylphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295252
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
1-[(1R)-1-(4-methoxy-2-methylphenyl)prop-2-enyl]piperazine
CID 171295226
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171282623
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol (CID 82264598) is 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol is Cc1cc(OC(C)C)ccc1C(O)C(C)N1CCNCC1.
What is the InChIKey of 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is KGLBNNVFIRHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)21-15-5-6-16(13(3)11-15)17(20)14(4)19-9-7-18-8-10-19/h5-6,11-12,14,17-18,20H,7-10H2,1-4H3.
What are the key properties of 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol?
1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82264598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).