5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde

C12H17NO3 — CID 102960754

IUPAC5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCOC1CCCN(Cc2ccc(C=O)o2)C1
InChIInChI=1S/C12H17NO3/c1-15-10-3-2-6-13(7-10)8-11-4-5-12(9-14)16-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyLWLCKZFZIZIIAN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.70
Rot. Bonds4

About 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde

5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde (PubChem CID 102960754) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
PubChem CID102960754
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCOC1CCCN(Cc2ccc(C=O)o2)C1
InChIInChI=1S/C12H17NO3/c1-15-10-3-2-6-13(7-10)8-11-4-5-12(9-14)16-11/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyLWLCKZFZIZIIAN-UHFFFAOYSA-N
XLogP1.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.70
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

5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960340
5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 114501239
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
CID 130727806
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
N-[[4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 102968207
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
4-[(3-methoxypiperidin-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 102959563
2-[(3-methoxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 102959581
[2-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 102968055

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde (CID 102960754) is 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde is COC1CCCN(Cc2ccc(C=O)o2)C1.
What is the InChIKey of 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde?
The InChIKey is LWLCKZFZIZIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-3-2-6-13(7-10)8-11-4-5-12(9-14)16-11/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde?
5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde has a molecular weight of 223.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 102960754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).