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

C12H22N2O2 — CID 79182740

IUPAC1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCN1CCOC(CN2CCCCC2C=O)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-5-3-2-4-11(14)10-15/h10-12H,2-9H2,1H3
InChIKeyGRVLEXHQYVVXSR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.37
Rot. Bonds3

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

1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 79182740) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
PubChem CID79182740
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCN1CCOC(CN2CCCCC2C=O)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-5-3-2-4-11(14)10-15/h10-12H,2-9H2,1H3
InChIKeyGRVLEXHQYVVXSR-UHFFFAOYSA-N
XLogP0.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.37
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-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
CID 79559959
[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
CID 116637488
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122
2-[1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339594
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
CID 115824890
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
[3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]piperidin-2-yl]methanamine
CID 82736712
4-methyl-2-[(2-piperidin-3-ylpyrrolidin-1-yl)methyl]morpholine
CID 79182589
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde (CID 79182740) is 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde is CN1CCOC(CN2CCCCC2C=O)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is GRVLEXHQYVVXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-5-3-2-4-11(14)10-15/h10-12H,2-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde?
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 226.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 79182740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).