4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde

C12H22N2O — CID 137415416

IUPAC4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde
SMILESCC1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)12-4-6-13(10-15)7-5-12/h10-12H,2-9H2,1H3
InChIKeyNBPIFOVILOAGAJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds2

About 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde

4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde (PubChem CID 137415416) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde
PubChem CID137415416
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde
SMILESCC1CCN(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)12-4-6-13(10-15)7-5-12/h10-12H,2-9H2,1H3
InChIKeyNBPIFOVILOAGAJ-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
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 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde (CID 137415416) is 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde is CC1CCN(C2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is NBPIFOVILOAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)12-4-6-13(10-15)7-5-12/h10-12H,2-9H2,1H3.
What are the key properties of 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde?
4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 137415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).