5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde

C14H18ClNO — CID 114844232

IUPAC5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde
SMILESCC1CCCN(c2ccc(Cl)cc2C=O)C1C
InChIInChI=1S/C14H18ClNO/c1-10-4-3-7-16(11(10)2)14-6-5-13(15)8-12(14)9-17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyIONMZQPEDOVPLW-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde

5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde (PubChem CID 114844232) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde
PubChem CID114844232
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde
SMILESCC1CCCN(c2ccc(Cl)cc2C=O)C1C
InChIInChI=1S/C14H18ClNO/c1-10-4-3-7-16(11(10)2)14-6-5-13(15)8-12(14)9-17/h5-6,8-11H,3-4,7H2,1-2H3
InChIKeyIONMZQPEDOVPLW-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.78
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

5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 114846600
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
(E)-3-[5-chloro-2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]prop-2-enoic acid
CID 114858573
4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
CID 62124073
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81148572
5-chloro-2-(2-methylthiomorpholin-4-yl)benzaldehyde
CID 114844566
1-[4-(chloromethyl)-2-methylphenyl]-2,3-dimethylpiperidine
CID 63567826
5-chloro-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzaldehyde
CID 114844191
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450
5-chloro-2-(3-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114844580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde (CID 114844232) is 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde is CC1CCCN(c2ccc(Cl)cc2C=O)C1C.
What is the InChIKey of 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde?
The InChIKey is IONMZQPEDOVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-4-3-7-16(11(10)2)14-6-5-13(15)8-12(14)9-17/h5-6,8-11H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde?
5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde has a molecular weight of 251.76 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 114844232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).