4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde

C14H18ClNO2 — CID 114844014

IUPAC4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde
SMILESCCOC1CCN(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-5-7-16(8-6-13)14-9-12(15)4-3-11(14)10-17/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyCFADUSFWHFUGJV-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.16
Rot. Bonds4

About 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde

4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde (PubChem CID 114844014) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde
PubChem CID114844014
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde
SMILESCCOC1CCN(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-5-7-16(8-6-13)14-9-12(15)4-3-11(14)10-17/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyCFADUSFWHFUGJV-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.16
H-Bond Donors ≤ 50
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-(4-ethoxypiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde (CID 114844014) is 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde is CCOC1CCN(c2cc(Cl)ccc2C=O)CC1.
What is the InChIKey of 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde?
The InChIKey is CFADUSFWHFUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-13-5-7-16(8-6-13)14-9-12(15)4-3-11(14)10-17/h3-4,9-10,13H,2,5-8H2,1H3.
What are the key properties of 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde?
4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethoxypiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 114844014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).