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

C12H22N2O2 — CID 79182827

IUPAC1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESCN1CCOC(CN2CCC(C=O)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-4-2-11(10-15)3-5-14/h10-12H,2-9H2,1H3
InChIKeyNDWLBWOLDAPGTL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.23
Rot. Bonds3

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

1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde (PubChem CID 79182827) 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-4-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
PubChem CID79182827
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
SMILESCN1CCOC(CN2CCC(C=O)CC2)C1
InChIInChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-4-2-11(10-15)3-5-14/h10-12H,2-9H2,1H3
InChIKeyNDWLBWOLDAPGTL-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
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-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-4-yl]ethanamine
CID 79172349
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
CID 79182740
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
CID 115314333
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774
methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
CID 78945334
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde (CID 79182827) is 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde is CN1CCOC(CN2CCC(C=O)CC2)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
The InChIKey is NDWLBWOLDAPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-6-7-16-12(8-13)9-14-4-2-11(10-15)3-5-14/h10-12H,2-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde?
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde has a molecular weight of 226.32 g/mol, XLogP of 0.23, 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-4-carbaldehyde is sourced from PubChem (CID 79182827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).