1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol

C19H32N2O3 — CID 82263741

IUPAC1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN2CCNCC2)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O3/c1-14(2)23-16-5-6-17(19(13-16)24-15(3)4)18(22)7-10-21-11-8-20-9-12-21/h5-6,13-15,18,20,22H,7-12H2,1-4H3
InChIKeyAETMVDWSOMKHJY-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.59
Rot. Bonds8

About 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol

1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol (PubChem CID 82263741) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
PubChem CID82263741
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
SMILESCC(C)Oc1ccc(C(O)CCN2CCNCC2)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O3/c1-14(2)23-16-5-6-17(19(13-16)24-15(3)4)18(22)7-10-21-11-8-20-9-12-21/h5-6,13-15,18,20,22H,7-12H2,1-4H3
InChIKeyAETMVDWSOMKHJY-UHFFFAOYSA-N
XLogP2.59
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
CID 82263737
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
CID 82265877
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
1-(2-methyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82264598
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
CID 82073848
1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
CID 82263840
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol (CID 82263741) is 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol is CC(C)Oc1ccc(C(O)CCN2CCNCC2)c(OC(C)C)c1.
What is the InChIKey of 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol?
The InChIKey is AETMVDWSOMKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-14(2)23-16-5-6-17(19(13-16)24-15(3)4)18(22)7-10-21-11-8-20-9-12-21/h5-6,13-15,18,20,22H,7-12H2,1-4H3.
What are the key properties of 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol?
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol has a molecular weight of 336.48 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).