5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde

C12H17NO3 — CID 102960340

IUPAC5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCC1CCN(Cc2ccc(C=O)o2)CC1O
InChIInChI=1S/C12H17NO3/c1-9-4-5-13(7-12(9)15)6-10-2-3-11(8-14)16-10/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyJYQVOJZIRWNQBU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.29
Rot. Bonds3

About 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde

5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde (PubChem CID 102960340) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
PubChem CID102960340
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
SMILESCC1CCN(Cc2ccc(C=O)o2)CC1O
InChIInChI=1S/C12H17NO3/c1-9-4-5-13(7-12(9)15)6-10-2-3-11(8-14)16-10/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyJYQVOJZIRWNQBU-UHFFFAOYSA-N
XLogP1.29
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methyl-4-oxopiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 114501239
5-[(3-methoxypiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960754
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
1-[(2-bromo-4-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 104926833
(3S)-1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-3-ol
CID 111123221

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde (CID 102960340) is 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde is CC1CCN(Cc2ccc(C=O)o2)CC1O.
What is the InChIKey of 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde?
The InChIKey is JYQVOJZIRWNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-13(7-12(9)15)6-10-2-3-11(8-14)16-10/h2-3,8-9,12,15H,4-7H2,1H3.
What are the key properties of 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde?
5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde has a molecular weight of 223.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 102960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).