4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde

C20H23N3O2 — CID 2903990

IUPAC4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-11-9-21(10-12-22)13-16(25)14-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-8,15-16,25H,9-14H2
InChIKeyPEWAINFWNZDQBS-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.93
Rot. Bonds5

About 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde

4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde (PubChem CID 2903990) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
PubChem CID2903990
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C20H23N3O2/c24-15-22-11-9-21(10-12-22)13-16(25)14-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-8,15-16,25H,9-14H2
InChIKeyPEWAINFWNZDQBS-UHFFFAOYSA-N
XLogP1.93
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde (CID 2903990) is 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde is O=CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde?
The InChIKey is PEWAINFWNZDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-15-22-11-9-21(10-12-22)13-16(25)14-23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-8,15-16,25H,9-14H2.
What are the key properties of 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde?
4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde has a molecular weight of 337.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-yl-2-hydroxypropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 2903990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).