1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol

C16H25N5O2 — CID 10781910

IUPAC1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)Oc1ccccc1N1CCN(CC(O)CN=[N+]=[N-])CC1
InChIInChI=1S/C16H25N5O2/c1-13(2)23-16-6-4-3-5-15(16)21-9-7-20(8-10-21)12-14(22)11-18-19-17/h3-6,13-14,22H,7-12H2,1-2H3
InChIKeyCBCNMUGWPMJBFC-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.27
Rot. Bonds7

About 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol

1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 10781910) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID10781910
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCC(C)Oc1ccccc1N1CCN(CC(O)CN=[N+]=[N-])CC1
InChIInChI=1S/C16H25N5O2/c1-13(2)23-16-6-4-3-5-15(16)21-9-7-20(8-10-21)12-14(22)11-18-19-17/h3-6,13-14,22H,7-12H2,1-2H3
InChIKeyCBCNMUGWPMJBFC-UHFFFAOYSA-N
XLogP2.27
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 15523797
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 101064384
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10792898
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856436
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 11661747

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol (CID 10781910) is 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol is CC(C)Oc1ccccc1N1CCN(CC(O)CN=[N+]=[N-])CC1.
What is the InChIKey of 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is CBCNMUGWPMJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(2)23-16-6-4-3-5-15(16)21-9-7-20(8-10-21)12-14(22)11-18-19-17/h3-6,13-14,22H,7-12H2,1-2H3.
What are the key properties of 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol?
1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 319.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 10781910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).