2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde

C15H21NO2 — CID 114054274

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
SMILESCc1ccc(N2CCCC(CCO)C2)c(C=O)c1
InChIInChI=1S/C15H21NO2/c1-12-4-5-15(14(9-12)11-18)16-7-2-3-13(10-16)6-8-17/h4-5,9,11,13,17H,2-3,6-8,10H2,1H3
InChIKeyKQDMDYBGNHQERW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde

2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde (PubChem CID 114054274) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
PubChem CID114054274
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
SMILESCc1ccc(N2CCCC(CCO)C2)c(C=O)c1
InChIInChI=1S/C15H21NO2/c1-12-4-5-15(14(9-12)11-18)16-7-2-3-13(10-16)6-8-17/h4-5,9,11,13,17H,2-3,6-8,10H2,1H3
InChIKeyKQDMDYBGNHQERW-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
5-[3-(2-hydroxyethyl)piperidin-1-yl]thiophene-2-carbaldehyde
CID 107227802
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
2-[1-(8-amino-3-methylisoquinolin-5-yl)piperidin-3-yl]ethanol
CID 107227039
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
CID 107227048

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde (CID 114054274) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde is Cc1ccc(N2CCCC(CCO)C2)c(C=O)c1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde?
The InChIKey is KQDMDYBGNHQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-5-15(14(9-12)11-18)16-7-2-3-13(10-16)6-8-17/h4-5,9,11,13,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde?
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde is sourced from PubChem (CID 114054274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).