1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde

C17H25NO — CID 170430014

IUPAC1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
SMILESCC1(C)CC(C=O)CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(2)10-15(13-19)11-17(3,4)18(16)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyOMMNBFZZGHFJNN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.65
Rot. Bonds3

About 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde

1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde (PubChem CID 170430014) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
PubChem CID170430014
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde
SMILESCC1(C)CC(C=O)CC(C)(C)N1Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-16(2)10-15(13-19)11-17(3,4)18(16)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3
InChIKeyOMMNBFZZGHFJNN-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 87175148
(Z)-2,3-bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioic acid
CID 22496642
1-benzyl-2,2,4,6,6-pentamethylpiperidine;methyl carbamate
CID 67933670
1-benzyl-N-ethyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 20501093
(Z)-2-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)but-2-enedioate
CID 22507419
3-(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 135259547
1-benzyl-4,4-dimethylpyrrolidine-2-carbaldehyde
CID 174872704
bis(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 54571692
1-benzyl-2,2-dimethyl-1-azaspiro[5.5]undecan-4-ol
CID 20501054
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
2-benzyl-3,3-dimethyl-1H-isoindole-1-carbaldehyde
CID 174540012
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde?
The IUPAC name of 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde (CID 170430014) is 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde is CC1(C)CC(C=O)CC(C)(C)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde?
The InChIKey is OMMNBFZZGHFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)10-15(13-19)11-17(3,4)18(16)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3.
What are the key properties of 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde?
1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde has a molecular weight of 259.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,6,6-tetramethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 170430014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).