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

C12H22N2O — CID 87381472

IUPAC2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H22N2O/c15-11-14-9-5-2-6-12(14)10-13-7-3-1-4-8-13/h11-12H,1-10H2
InChIKeyKTCIFMVNJWDQEU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds3

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

2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde (PubChem CID 87381472) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde
PubChem CID87381472
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H22N2O/c15-11-14-9-5-2-6-12(14)10-13-7-3-1-4-8-13/h11-12H,1-10H2
InChIKeyKTCIFMVNJWDQEU-UHFFFAOYSA-N
XLogP1.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde (CID 87381472) is 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde is O=CN1CCCCC1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde?
The InChIKey is KTCIFMVNJWDQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-11-14-9-5-2-6-12(14)10-13-7-3-1-4-8-13/h11-12H,1-10H2.
What are the key properties of 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde?
2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 87381472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).