3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde

C14H18ClNO2 — CID 102959181

IUPAC3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
SMILESCOC1CN(c2ccc(C=O)cc2Cl)CCC1C
InChIInChI=1S/C14H18ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-11(9-17)7-12(13)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3
InChIKeyHPWFONRKUISEQT-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.01
Rot. Bonds3

About 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde

3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde (PubChem CID 102959181) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
PubChem CID102959181
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
SMILESCOC1CN(c2ccc(C=O)cc2Cl)CCC1C
InChIInChI=1S/C14H18ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-11(9-17)7-12(13)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3
InChIKeyHPWFONRKUISEQT-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 102965809
3-chloro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626097
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 114065164
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
CID 102958674
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353
1-[4-(chloromethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 102965842
methyl 3-amino-4-(3-methoxy-4-methylpiperidin-1-yl)benzoate
CID 102964150
3-chloro-4-(4-propylazepan-1-yl)benzaldehyde
CID 81144847
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The IUPAC name of 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde (CID 102959181) is 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The canonical SMILES for 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde is COC1CN(c2ccc(C=O)cc2Cl)CCC1C.
What is the InChIKey of 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
The InChIKey is HPWFONRKUISEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-5-6-16(8-14(10)18-2)13-4-3-11(9-17)7-12(13)15/h3-4,7,9-10,14H,5-6,8H2,1-2H3.
What are the key properties of 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde?
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde has a molecular weight of 267.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 102959181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).