(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde

C13H18N2O3 — CID 175509162

IUPAC(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde
SMILESCCCOc1ccc([C@@H]2COCCN2C=O)cn1
InChIInChI=1S/C13H18N2O3/c1-2-6-18-13-4-3-11(8-14-13)12-9-17-7-5-15(12)10-16/h3-4,8,10,12H,2,5-7,9H2,1H3/t12-/m0/s1
InChIKeyFXTANQMSUSHQSD-LBPRGKRZSA-N
MW250.30 g/mol
LogP1.40
Rot. Bonds5

About (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde

(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde (PubChem CID 175509162) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde
PubChem CID175509162
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde
SMILESCCCOc1ccc([C@@H]2COCCN2C=O)cn1
InChIInChI=1S/C13H18N2O3/c1-2-6-18-13-4-3-11(8-14-13)12-9-17-7-5-15(12)10-16/h3-4,8,10,12H,2,5-7,9H2,1H3/t12-/m0/s1
InChIKeyFXTANQMSUSHQSD-LBPRGKRZSA-N
XLogP1.40
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.40
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

2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
2-(6-phenylmethoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539496
(3S)-3-(6-bromopyridazin-3-yl)morpholine-4-carbaldehyde
CID 175739184
(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
CID 175509109
(3R)-N-(6-butoxy-3-pyridinyl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 100648871
3-ethoxymorpholine-4-carbaldehyde
CID 174369986
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 167911180
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
3-(methoxymethyl)morpholine-4-carbaldehyde
CID 112537810
2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine
CID 70839515
3-[2-fluoro-5-(2-fluoroethoxy)-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carbaldehyde
CID 150060228

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde?
The IUPAC name of (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde (CID 175509162) is (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde.
What is the SMILES notation for (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde?
The canonical SMILES for (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde is CCCOc1ccc([C@@H]2COCCN2C=O)cn1.
What is the InChIKey of (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde?
The InChIKey is FXTANQMSUSHQSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-6-18-13-4-3-11(8-14-13)12-9-17-7-5-15(12)10-16/h3-4,8,10,12H,2,5-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde?
(3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-propoxy-3-pyridinyl)morpholine-4-carbaldehyde is sourced from PubChem (CID 175509162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).