2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde

C14H19NO — CID 105471536

IUPAC2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde
SMILESCc1ccccc1C(C=O)C1CCCNC1
InChIInChI=1S/C14H19NO/c1-11-5-2-3-7-13(11)14(10-16)12-6-4-8-15-9-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3
InChIKeyIHFSYDXAFFFPAS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde

2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde (PubChem CID 105471536) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde
PubChem CID105471536
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde
SMILESCc1ccccc1C(C=O)C1CCCNC1
InChIInChI=1S/C14H19NO/c1-11-5-2-3-7-13(11)14(10-16)12-6-4-8-15-9-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3
InChIKeyIHFSYDXAFFFPAS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
2-[hydroxy(piperidin-3-yl)methyl]benzaldehyde
CID 115031452
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
2-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
CID 105499900
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
3-(1-piperidin-3-ylethyl)benzaldehyde
CID 115030279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde?
The IUPAC name of 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde (CID 105471536) is 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde.
What is the SMILES notation for 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde?
The canonical SMILES for 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde is Cc1ccccc1C(C=O)C1CCCNC1.
What is the InChIKey of 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde?
The InChIKey is IHFSYDXAFFFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-2-3-7-13(11)14(10-16)12-6-4-8-15-9-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde?
2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-piperidin-3-ylacetaldehyde is sourced from PubChem (CID 105471536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).