1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde

C13H24N2O2 — CID 79182828

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESCCN1CCOC(CN2CCC(C=O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-14-7-8-17-13(9-14)10-15-5-3-12(11-16)4-6-15/h11-13H,2-10H2,1H3
InChIKeyQKKLKMIARXICEF-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde

1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde (PubChem CID 79182828) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
PubChem CID79182828
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESCCN1CCOC(CN2CCC(C=O)CC2)C1
InChIInChI=1S/C13H24N2O2/c1-2-14-7-8-17-13(9-14)10-15-5-3-12(11-16)4-6-15/h11-13H,2-10H2,1H3
InChIKeyQKKLKMIARXICEF-UHFFFAOYSA-N
XLogP0.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
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-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
3-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81460895
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carboximidamide
CID 79171844
2,4-diethylmorpholine
CID 58988021
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 79171517
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde (CID 79182828) is 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde is CCN1CCOC(CN2CCC(C=O)CC2)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The InChIKey is QKKLKMIARXICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-14-7-8-17-13(9-14)10-15-5-3-12(11-16)4-6-15/h11-13H,2-10H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde has a molecular weight of 240.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 79182828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).