2-morpholin-4-ylpiperazine-1-carbaldehyde

C9H17N3O2 — CID 91666126

IUPAC2-morpholin-4-ylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1N1CCOCC1
InChIInChI=1S/C9H17N3O2/c13-8-12-2-1-10-7-9(12)11-3-5-14-6-4-11/h8-10H,1-7H2
InChIKeyFZPGXIUOOHHJIK-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.29
Rot. Bonds2

About 2-morpholin-4-ylpiperazine-1-carbaldehyde

2-morpholin-4-ylpiperazine-1-carbaldehyde (PubChem CID 91666126) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-morpholin-4-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-ylpiperazine-1-carbaldehyde
PubChem CID91666126
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-morpholin-4-ylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1N1CCOCC1
InChIInChI=1S/C9H17N3O2/c13-8-12-2-1-10-7-9(12)11-3-5-14-6-4-11/h8-10H,1-7H2
InChIKeyFZPGXIUOOHHJIK-UHFFFAOYSA-N
XLogP-1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylpiperidine-1-carbaldehyde
CID 123830981
2-cyclopropylpiperazine-1-carbaldehyde
CID 87187769
2-acetylpiperazine-1-carbaldehyde
CID 22614357
2-(methylaminomethyl)piperazine-1-carbaldehyde
CID 144913960
2-propanoylpiperazine-1-carbaldehyde
CID 22614385
2-butan-2-ylpiperazine-1-carbaldehyde
CID 91801359
(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
CID 124561846
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
4-(azetidin-3-yl)-1,4-oxazepane;dihydrochloride
CID 131875140
2-pyrimidin-2-ylpiperazine-1-carbaldehyde
CID 91615217
2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde
CID 87460061
2-(furan-3-ylmethyl)piperazine-1-carbaldehyde
CID 173034597

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpiperazine-1-carbaldehyde?
The IUPAC name of 2-morpholin-4-ylpiperazine-1-carbaldehyde (CID 91666126) is 2-morpholin-4-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-morpholin-4-ylpiperazine-1-carbaldehyde is O=CN1CCNCC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpiperazine-1-carbaldehyde?
The InChIKey is FZPGXIUOOHHJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-8-12-2-1-10-7-9(12)11-3-5-14-6-4-11/h8-10H,1-7H2.
What are the key properties of 2-morpholin-4-ylpiperazine-1-carbaldehyde?
2-morpholin-4-ylpiperazine-1-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 91666126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).