4-(oxan-4-yl)piperidine-1-carbaldehyde

C11H19NO2 — CID 143294337

IUPAC4-(oxan-4-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-12-5-1-10(2-6-12)11-3-7-14-8-4-11/h9-11H,1-8H2
InChIKeyPMBQAKIZYFIDHO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds2

About 4-(oxan-4-yl)piperidine-1-carbaldehyde

4-(oxan-4-yl)piperidine-1-carbaldehyde (PubChem CID 143294337) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(oxan-4-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(oxan-4-yl)piperidine-1-carbaldehyde
PubChem CID143294337
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(oxan-4-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C2CCOCC2)CC1
InChIInChI=1S/C11H19NO2/c13-9-12-5-1-10(2-6-12)11-3-7-14-8-4-11/h9-11H,1-8H2
InChIKeyPMBQAKIZYFIDHO-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbaldehyde
CID 86143378
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
CID 142506557
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbaldehyde
CID 64992278
morpholine-4-carbaldehyde;perchloric acid
CID 12512320
4-(dimethylamino)piperidine-1-carbaldehyde
CID 54343500
4-propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
morpholine-4-carbaldehyde;1-morpholin-4-ylethanone
CID 158454049
1-chloropropane;morpholine-4-carbaldehyde
CID 165401429
(2R)-2-cyclopropylmorpholine-4-carbaldehyde
CID 167506006
4-methylsulfanylpiperidine-1-carbaldehyde
CID 87835944
4-aminoazepane-1-carbaldehyde
CID 87381262
4-(bromomethyl)piperidine-1-carbaldehyde
CID 19812293

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(oxan-4-yl)piperidine-1-carbaldehyde (CID 143294337) is 4-(oxan-4-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(oxan-4-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(oxan-4-yl)piperidine-1-carbaldehyde is O=CN1CCC(C2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-yl)piperidine-1-carbaldehyde?
The InChIKey is PMBQAKIZYFIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-12-5-1-10(2-6-12)11-3-7-14-8-4-11/h9-11H,1-8H2.
What are the key properties of 4-(oxan-4-yl)piperidine-1-carbaldehyde?
4-(oxan-4-yl)piperidine-1-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 143294337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).