4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde

C12H14ClNO2 — CID 114844067

IUPAC4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CCCC(O)C1
InChIInChI=1S/C12H14ClNO2/c13-10-4-3-9(8-15)12(6-10)14-5-1-2-11(16)7-14/h3-4,6,8,11,16H,1-2,5,7H2
InChIKeyGUQCKZWCQVVDPF-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde

4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde (PubChem CID 114844067) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
PubChem CID114844067
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1N1CCCC(O)C1
InChIInChI=1S/C12H14ClNO2/c13-10-4-3-9(8-15)12(6-10)14-5-1-2-11(16)7-14/h3-4,6,8,11,16H,1-2,5,7H2
InChIKeyGUQCKZWCQVVDPF-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde (CID 114844067) is 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde is O=Cc1ccc(Cl)cc1N1CCCC(O)C1.
What is the InChIKey of 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde?
The InChIKey is GUQCKZWCQVVDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-3-9(8-15)12(6-10)14-5-1-2-11(16)7-14/h3-4,6,8,11,16H,1-2,5,7H2.
What are the key properties of 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde?
4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde has a molecular weight of 239.70 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-hydroxypiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 114844067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).