2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde

C11H20N2O — CID 88926703

IUPAC2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1CN1CCCC1
InChIInChI=1S/C11H20N2O/c14-10-13-8-2-1-5-11(13)9-12-6-3-4-7-12/h10-11H,1-9H2
InChIKeyIVIIAARULUUPIZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.09
Rot. Bonds3

About 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde

2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde (PubChem CID 88926703) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
PubChem CID88926703
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1CN1CCCC1
InChIInChI=1S/C11H20N2O/c14-10-13-8-2-1-5-11(13)9-12-6-3-4-7-12/h10-11H,1-9H2
InChIKeyIVIIAARULUUPIZ-UHFFFAOYSA-N
XLogP1.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxopropyl)piperidine-1-carbaldehyde
CID 88835293
2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
CID 142690055
2-(2-oxopropyl)azepane-1-carbaldehyde
CID 13117688
(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
CID 87628416
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
CID 82508373
2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
CID 68770074
2-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carbaldehyde
CID 159250873
2-ethoxypiperidine-1-carbaldehyde
CID 87544079
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde (CID 88926703) is 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde is O=CN1CCCCC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde?
The InChIKey is IVIIAARULUUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-10-13-8-2-1-5-11(13)9-12-6-3-4-7-12/h10-11H,1-9H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde?
2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 88926703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).