2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde

C14H26N2O — CID 87628416

IUPAC2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
SMILESCN(CC1CCCCN1C=O)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)12-17/h12-14H,2-11H2,1H3
InChIKeyDYNQNJNALBCXPI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.26
Rot. Bonds4

About 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde

2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde (PubChem CID 87628416) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
PubChem CID87628416
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
SMILESCN(CC1CCCCN1C=O)C1CCCCC1
InChIInChI=1S/C14H26N2O/c1-15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)12-17/h12-14H,2-11H2,1H3
InChIKeyDYNQNJNALBCXPI-UHFFFAOYSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.26
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-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde (CID 87628416) is 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde is CN(CC1CCCCN1C=O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde?
The InChIKey is DYNQNJNALBCXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15(13-7-3-2-4-8-13)11-14-9-5-6-10-16(14)12-17/h12-14H,2-11H2,1H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde?
2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde has a molecular weight of 238.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 87628416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).