piperazine-1-carbaldehyde;piperidine

C10H21N3O — CID 142450231

IUPACpiperazine-1-carbaldehyde;piperidine
SMILESC1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/C5H10N2O.C5H11N/c8-5-7-3-1-6-2-4-7;1-2-4-6-5-3-1/h5-6H,1-4H2;6H,1-5H2
InChIKeyXDOWGWLLLQZKBK-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.19
Rot. Bonds1

About piperazine-1-carbaldehyde;piperidine

piperazine-1-carbaldehyde;piperidine (PubChem CID 142450231) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is piperazine-1-carbaldehyde;piperidine.

Molecular Properties

Compound Namepiperazine-1-carbaldehyde;piperidine
PubChem CID142450231
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Namepiperazine-1-carbaldehyde;piperidine
SMILESC1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/C5H10N2O.C5H11N/c8-5-7-3-1-6-2-4-7;1-2-4-6-5-3-1/h5-6H,1-4H2;6H,1-5H2
InChIKeyXDOWGWLLLQZKBK-UHFFFAOYSA-N
XLogP-0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Oxo-2-piperidin-1-ylethyl)piperazine
CID 2760439
1-(1-Piperidinylcarbonyl)piperazine
CID 1095015
4-[2-Oxo-2-(Piperidin-1-Yl)ethyl]piperazin-1-Ium
CID 91826681
N-(2-piperidin-1-ylethyl)formamide
CID 21957372
N-(3-piperidinopropyl) carboxamide
CID 64992831
N-[2-(4-fluoropiperidin-1-yl)ethyl]formamide
CID 87596098
N-[2-(3-fluoropiperidin-1-yl)ethyl]formamide
CID 87598326
Piperidine-1-carboselenoate;piperidin-1-ium
CID 14383541
Piperidine-1-carbothioate;piperidin-1-ium
CID 88836625
Piperidinium 1-piperidinecarboxylate
CID 129826698
piperidine;piperidine-1-carbothioic S-acid
CID 13753276
Ethanone, 1-(1-piperazinyl)-2-(1-piperidinyl)-
CID 16770304

Frequently Asked Questions

What is the IUPAC name of piperazine-1-carbaldehyde;piperidine?
The IUPAC name of piperazine-1-carbaldehyde;piperidine (CID 142450231) is piperazine-1-carbaldehyde;piperidine.
What is the SMILES notation for piperazine-1-carbaldehyde;piperidine?
The canonical SMILES for piperazine-1-carbaldehyde;piperidine is C1CCNCC1.O=CN1CCNCC1.
What is the InChIKey of piperazine-1-carbaldehyde;piperidine?
The InChIKey is XDOWGWLLLQZKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C5H11N/c8-5-7-3-1-6-2-4-7;1-2-4-6-5-3-1/h5-6H,1-4H2;6H,1-5H2.
What are the key properties of piperazine-1-carbaldehyde;piperidine?
piperazine-1-carbaldehyde;piperidine has a molecular weight of 199.30 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carbaldehyde;piperidine is sourced from PubChem (CID 142450231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).