1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde

C12H14F2N2O — CID 174689805

IUPAC1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde
SMILESNN1CCCC(c2cc(F)cc(F)c2)C1C=O
InChIInChI=1S/C12H14F2N2O/c13-9-4-8(5-10(14)6-9)11-2-1-3-16(15)12(11)7-17/h4-7,11-12H,1-3,15H2
InChIKeyYRGNXCMKYXJUKP-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.59
Rot. Bonds2

About 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde

1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde (PubChem CID 174689805) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde
PubChem CID174689805
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde
SMILESNN1CCCC(c2cc(F)cc(F)c2)C1C=O
InChIInChI=1S/C12H14F2N2O/c13-9-4-8(5-10(14)6-9)11-2-1-3-16(15)12(11)7-17/h4-7,11-12H,1-3,15H2
InChIKeyYRGNXCMKYXJUKP-UHFFFAOYSA-N
XLogP1.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-difluorophenyl)cyclohexan-1-amine
CID 62801272
trans-(1S,2R)-2-(3,5-difluorophenyl)cyclopentan-1-ol
CID 10976443
cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 142068530
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119968867
trans-(1R,2S)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 124512088
(2S,3S)-3-(4-fluorophenyl)-2-formylpyrrolidine-1-carboxylic acid
CID 118089137
5-(3,5-difluorophenyl)oxolane-2-carbaldehyde
CID 130584670
1-(2-bromocyclohexyl)-3-fluoro-5-methylbenzene
CID 79705445
2-amino-1-[(2R,3R,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-2-methylpropan-1-one
CID 72900922
1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
CID 105408633
2-amino-1-[(2R,3S,6R)-3-(3,5-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]ethanone
CID 56917826
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde (CID 174689805) is 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde is NN1CCCC(c2cc(F)cc(F)c2)C1C=O.
What is the InChIKey of 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde?
The InChIKey is YRGNXCMKYXJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-4-8(5-10(14)6-9)11-2-1-3-16(15)12(11)7-17/h4-7,11-12H,1-3,15H2.
What are the key properties of 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde?
1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde has a molecular weight of 240.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,5-difluorophenyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174689805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).