5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde

C16H22ClNO — CID 114844295

IUPAC5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
SMILESCCC1(CC)CCN(c2ccc(Cl)cc2C=O)CC1
InChIInChI=1S/C16H22ClNO/c1-3-16(4-2)7-9-18(10-8-16)15-6-5-14(17)11-13(15)12-19/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyPJZQDHDOFBQCDD-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde

5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde (PubChem CID 114844295) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
PubChem CID114844295
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
SMILESCCC1(CC)CCN(c2ccc(Cl)cc2C=O)CC1
InChIInChI=1S/C16H22ClNO/c1-3-16(4-2)7-9-18(10-8-16)15-6-5-14(17)11-13(15)12-19/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyPJZQDHDOFBQCDD-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
5-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844443
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
5-chloro-2-(3-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114844580
5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzaldehyde
CID 114844105
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
5-chloro-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzaldehyde
CID 114844362
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
CID 169105579
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]benzaldehyde
CID 114844393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde (CID 114844295) is 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde is CCC1(CC)CCN(c2ccc(Cl)cc2C=O)CC1.
What is the InChIKey of 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde?
The InChIKey is PJZQDHDOFBQCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-16(4-2)7-9-18(10-8-16)15-6-5-14(17)11-13(15)12-19/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde?
5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde has a molecular weight of 279.81 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 114844295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).