2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde

C15H19F2NO — CID 171525912

IUPAC2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde
SMILESCC1CN(Cc2ccccc2)CC(CC=O)C1(F)F
InChIInChI=1S/C15H19F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,8,12,14H,7,9-11H2,1H3
InChIKeyFRGTYWYNRZOREW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde

2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde (PubChem CID 171525912) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde
PubChem CID171525912
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde
SMILESCC1CN(Cc2ccccc2)CC(CC=O)C1(F)F
InChIInChI=1S/C15H19F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,8,12,14H,7,9-11H2,1H3
InChIKeyFRGTYWYNRZOREW-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.98
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

2-[(3R,5S)-1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl]ethanol
CID 167458365
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-(1-benzylazetidin-3-yl)propanal
CID 83908522
(3S,5R)-1-benzyl-4,4-difluoro-5-(hydroxymethyl)piperidin-3-ol
CID 42612420
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
2-(1-benzyl-3-methylazetidin-2-yl)acetaldehyde
CID 123968798
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
1-benzyl-3,5-dimethyl-4-propylpiperidin-4-ol
CID 72524846
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
[(3R,4R)-1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 124869795

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde?
The IUPAC name of 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde (CID 171525912) is 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde is CC1CN(Cc2ccccc2)CC(CC=O)C1(F)F.
What is the InChIKey of 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde?
The InChIKey is FRGTYWYNRZOREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-12-9-18(10-13-5-3-2-4-6-13)11-14(7-8-19)15(12,16)17/h2-6,8,12,14H,7,9-11H2,1H3.
What are the key properties of 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde?
2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde has a molecular weight of 267.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4,4-difluoro-5-methylpiperidin-3-yl)acetaldehyde is sourced from PubChem (CID 171525912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).