1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde

C9H18N2O — CID 166488609

IUPAC1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
SMILESCNCCN1CCC(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-10-4-7-11-5-2-9(8-12)3-6-11/h8-10H,2-7H2,1H3
InChIKeyYKIRPDQXTLMSLO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.12
Rot. Bonds4

About 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde

1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde (PubChem CID 166488609) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
PubChem CID166488609
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
SMILESCNCCN1CCC(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-10-4-7-11-5-2-9(8-12)3-6-11/h8-10H,2-7H2,1H3
InChIKeyYKIRPDQXTLMSLO-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-4-carbaldehyde
CID 167464269
1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
1-decylpiperidine-4-carbaldehyde
CID 62654458
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
CID 63196126
1-methylpiperidine-4-carbaldehyde;N-methyl-3-propan-2-yloxypropan-1-amine
CID 143843368
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-(cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde (CID 166488609) is 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde is CNCCN1CCC(C=O)CC1.
What is the InChIKey of 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
The InChIKey is YKIRPDQXTLMSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-4-7-11-5-2-9(8-12)3-6-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde?
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 166488609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).