1-(oxan-3-yl)piperidine-2-carbaldehyde

C11H19NO2 — CID 107137487

IUPAC1-(oxan-3-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C1CCCOC1
InChIInChI=1S/C11H19NO2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h8,10-11H,1-7,9H2
InChIKeyVJLKKYITVQXCOM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.22
Rot. Bonds2

About 1-(oxan-3-yl)piperidine-2-carbaldehyde

1-(oxan-3-yl)piperidine-2-carbaldehyde (PubChem CID 107137487) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(oxan-3-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(oxan-3-yl)piperidine-2-carbaldehyde
PubChem CID107137487
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(oxan-3-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1C1CCCOC1
InChIInChI=1S/C11H19NO2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h8,10-11H,1-7,9H2
InChIKeyVJLKKYITVQXCOM-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypiperidine-2-carbaldehyde
CID 173140570
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 103857795
2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
CID 80671573
1-(oxan-3-yl)pyrrolidine-2-carbothioamide
CID 107134702
2-[4-(oxan-3-yl)thiomorpholin-3-yl]acetic acid
CID 66419999
2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
(2R)-2-methyl-1-(oxan-3-yl)piperazine
CID 104973743
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
CID 66432953
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-2-carbaldehyde
CID 55100024

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(oxan-3-yl)piperidine-2-carbaldehyde (CID 107137487) is 1-(oxan-3-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(oxan-3-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(oxan-3-yl)piperidine-2-carbaldehyde is O=CC1CCCCN1C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)piperidine-2-carbaldehyde?
The InChIKey is VJLKKYITVQXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-8-10-4-1-2-6-12(10)11-5-3-7-14-9-11/h8,10-11H,1-7,9H2.
What are the key properties of 1-(oxan-3-yl)piperidine-2-carbaldehyde?
1-(oxan-3-yl)piperidine-2-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 107137487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).