1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde

C12H21NO2 — CID 62655555

IUPAC1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H21NO2/c14-10-11-4-6-13(7-5-11)9-12-3-1-2-8-15-12/h10-12H,1-9H2
InChIKeyBQDPVFAXFXJOIV-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds3

About 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde

1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 62655555) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
PubChem CID62655555
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H21NO2/c14-10-11-4-6-13(7-5-11)9-12-3-1-2-8-15-12/h10-12H,1-9H2
InChIKeyBQDPVFAXFXJOIV-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
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-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
1-(oxan-2-ylmethyl)piperazine
CID 14981447
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204
2-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 63904881
4-methoxy-1-(oxolan-2-ylmethyl)piperidine-4-carbaldehyde
CID 175382245
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
CID 51077626
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde (CID 62655555) is 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is BQDPVFAXFXJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-10-11-4-6-13(7-5-11)9-12-3-1-2-8-15-12/h10-12H,1-9H2.
What are the key properties of 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde?
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 211.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62655555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).