1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde

C14H26N2O2 — CID 155394978

IUPAC1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
SMILESCCCN(CC=O)CCCN1CCCCC1C=O
InChIInChI=1S/C14H26N2O2/c1-2-7-15(11-12-17)8-5-10-16-9-4-3-6-14(16)13-18/h12-14H,2-11H2,1H3
InChIKeyDYHQINPMOYMFGB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.34
Rot. Bonds9

About 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde

1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde (PubChem CID 155394978) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
PubChem CID155394978
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
SMILESCCCN(CC=O)CCCN1CCCCC1C=O
InChIInChI=1S/C14H26N2O2/c1-2-7-15(11-12-17)8-5-10-16-9-4-3-6-14(16)13-18/h12-14H,2-11H2,1H3
InChIKeyDYHQINPMOYMFGB-UHFFFAOYSA-N
XLogP1.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
CID 102567892
1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
CID 114476661
2-ethenyl-1-propylpiperidine
CID 13181247
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
CID 142656328
1-butyl-2-ethenylpyrrolidine
CID 11332575
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
2-[2-hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde (CID 155394978) is 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde is CCCN(CC=O)CCCN1CCCCC1C=O.
What is the InChIKey of 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde?
The InChIKey is DYHQINPMOYMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-7-15(11-12-17)8-5-10-16-9-4-3-6-14(16)13-18/h12-14H,2-11H2,1H3.
What are the key properties of 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde?
1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde has a molecular weight of 254.37 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 155394978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).