5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde

C14H19NO3 — CID 89110267

IUPAC5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1cc(O)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H19NO3/c16-11-12-10-13(17)4-5-14(12)18-9-8-15-6-2-1-3-7-15/h4-5,10-11,17H,1-3,6-9H2
InChIKeyVOGYPTUFIRQZMW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds5

About 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde

5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde (PubChem CID 89110267) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
PubChem CID89110267
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
SMILESO=Cc1cc(O)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H19NO3/c16-11-12-10-13(17)4-5-14(12)18-9-8-15-6-2-1-3-7-15/h4-5,10-11,17H,1-3,6-9H2
InChIKeyVOGYPTUFIRQZMW-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
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

4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzene-1,3-diol
CID 173275765
[5-nitro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 43472931
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
CID 173255910
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodithiin-6-ol
CID 75003781

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The IUPAC name of 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde (CID 89110267) is 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde.
What is the SMILES notation for 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The canonical SMILES for 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde is O=Cc1cc(O)ccc1OCCN1CCCCC1.
What is the InChIKey of 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
The InChIKey is VOGYPTUFIRQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-11-12-10-13(17)4-5-14(12)18-9-8-15-6-2-1-3-7-15/h4-5,10-11,17H,1-3,6-9H2.
What are the key properties of 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde?
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde has a molecular weight of 249.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde is sourced from PubChem (CID 89110267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).