2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde

C11H21N3O — CID 87460061

IUPAC2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde
SMILESCN1CCCCC1C1CNCCN1C=O
InChIInChI=1S/C11H21N3O/c1-13-6-3-2-4-10(13)11-8-12-5-7-14(11)9-15/h9-12H,2-8H2,1H3
InChIKeyLUIWDZNKHONBAT-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds2

About 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde

2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde (PubChem CID 87460061) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde
PubChem CID87460061
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde
SMILESCN1CCCCC1C1CNCCN1C=O
InChIInChI=1S/C11H21N3O/c1-13-6-3-2-4-10(13)11-8-12-5-7-14(11)9-15/h9-12H,2-8H2,1H3
InChIKeyLUIWDZNKHONBAT-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde (CID 87460061) is 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde is CN1CCCCC1C1CNCCN1C=O.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde?
The InChIKey is LUIWDZNKHONBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13-6-3-2-4-10(13)11-8-12-5-7-14(11)9-15/h9-12H,2-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde?
2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde has a molecular weight of 211.31 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 87460061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).