3-chloro-4-piperidin-1-ylbenzaldehyde

C12H14ClNO — CID 7148639

IUPAC3-chloro-4-piperidin-1-ylbenzaldehyde
SMILESO=Cc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyWUTPOJXCUKKZMZ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.14
Rot. Bonds2

About 3-chloro-4-piperidin-1-ylbenzaldehyde

3-chloro-4-piperidin-1-ylbenzaldehyde (PubChem CID 7148639) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 3-chloro-4-piperidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-piperidin-1-ylbenzaldehyde
PubChem CID7148639
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name3-chloro-4-piperidin-1-ylbenzaldehyde
SMILESO=Cc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyWUTPOJXCUKKZMZ-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-piperidin-1-ylbenzaldehyde?
The IUPAC name of 3-chloro-4-piperidin-1-ylbenzaldehyde (CID 7148639) is 3-chloro-4-piperidin-1-ylbenzaldehyde.
What is the SMILES notation for 3-chloro-4-piperidin-1-ylbenzaldehyde?
The canonical SMILES for 3-chloro-4-piperidin-1-ylbenzaldehyde is O=Cc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-piperidin-1-ylbenzaldehyde?
The InChIKey is WUTPOJXCUKKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 3-chloro-4-piperidin-1-ylbenzaldehyde?
3-chloro-4-piperidin-1-ylbenzaldehyde has a molecular weight of 223.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-piperidin-1-ylbenzaldehyde is sourced from PubChem (CID 7148639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).