4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde

C14H19NO — CID 117309812

IUPAC4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
SMILESCc1ccc(C=O)c(CC2CCCNC2)c1
InChIInChI=1S/C14H19NO/c1-11-4-5-13(10-16)14(7-11)8-12-3-2-6-15-9-12/h4-5,7,10,12,15H,2-3,6,8-9H2,1H3
InChIKeyQXEWZORSVVGMMJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.35
Rot. Bonds3

About 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde

4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde (PubChem CID 117309812) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
PubChem CID117309812
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
SMILESCc1ccc(C=O)c(CC2CCCNC2)c1
InChIInChI=1S/C14H19NO/c1-11-4-5-13(10-16)14(7-11)8-12-3-2-6-15-9-12/h4-5,7,10,12,15H,2-3,6,8-9H2,1H3
InChIKeyQXEWZORSVVGMMJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde?
The IUPAC name of 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde (CID 117309812) is 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde.
What is the SMILES notation for 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde?
The canonical SMILES for 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde is Cc1ccc(C=O)c(CC2CCCNC2)c1.
What is the InChIKey of 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde?
The InChIKey is QXEWZORSVVGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-5-13(10-16)14(7-11)8-12-3-2-6-15-9-12/h4-5,7,10,12,15H,2-3,6,8-9H2,1H3.
What are the key properties of 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde?
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde is sourced from PubChem (CID 117309812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).