3-(1-piperidin-3-ylethyl)benzaldehyde

C14H19NO — CID 115030279

IUPAC3-(1-piperidin-3-ylethyl)benzaldehyde
SMILESCC(c1cccc(C=O)c1)C1CCCNC1
InChIInChI=1S/C14H19NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2,4-5,8,10-11,14-15H,3,6-7,9H2,1H3
InChIKeyPDIXKZQVDAFIOO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.60
Rot. Bonds3

About 3-(1-piperidin-3-ylethyl)benzaldehyde

3-(1-piperidin-3-ylethyl)benzaldehyde (PubChem CID 115030279) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(1-piperidin-3-ylethyl)benzaldehyde.

Molecular Properties

Compound Name3-(1-piperidin-3-ylethyl)benzaldehyde
PubChem CID115030279
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(1-piperidin-3-ylethyl)benzaldehyde
SMILESCC(c1cccc(C=O)c1)C1CCCNC1
InChIInChI=1S/C14H19NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2,4-5,8,10-11,14-15H,3,6-7,9H2,1H3
InChIKeyPDIXKZQVDAFIOO-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
4-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023128
piperidine;3-propan-2-ylbenzaldehyde
CID 144804603
3-[cyclopentyl(fluoro)methyl]benzaldehyde
CID 115024667
4-(1-piperidin-3-ylethyl)benzene-1,2-diol
CID 83910552
3-[cyclobutyl(hydroxy)methyl]benzaldehyde
CID 115018179
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
3-(1-fluoroethyl)benzaldehyde
CID 83856182
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-3-ylethyl)benzaldehyde?
The IUPAC name of 3-(1-piperidin-3-ylethyl)benzaldehyde (CID 115030279) is 3-(1-piperidin-3-ylethyl)benzaldehyde.
What is the SMILES notation for 3-(1-piperidin-3-ylethyl)benzaldehyde?
The canonical SMILES for 3-(1-piperidin-3-ylethyl)benzaldehyde is CC(c1cccc(C=O)c1)C1CCCNC1.
What is the InChIKey of 3-(1-piperidin-3-ylethyl)benzaldehyde?
The InChIKey is PDIXKZQVDAFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(14-6-3-7-15-9-14)13-5-2-4-12(8-13)10-16/h2,4-5,8,10-11,14-15H,3,6-7,9H2,1H3.
What are the key properties of 3-(1-piperidin-3-ylethyl)benzaldehyde?
3-(1-piperidin-3-ylethyl)benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-3-ylethyl)benzaldehyde is sourced from PubChem (CID 115030279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).