(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde

C7H13FN2O — CID 164876586

IUPAC(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde
SMILESCNC1C[C@H](F)CN(C=O)C1
InChIInChI=1S/C7H13FN2O/c1-9-7-2-6(8)3-10(4-7)5-11/h5-7,9H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyIXKIFIOEPYOKLX-PKPIPKONSA-N
MW160.19 g/mol
LogP-0.23
Rot. Bonds2

About (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde

(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde (PubChem CID 164876586) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde
PubChem CID164876586
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde
SMILESCNC1C[C@H](F)CN(C=O)C1
InChIInChI=1S/C7H13FN2O/c1-9-7-2-6(8)3-10(4-7)5-11/h5-7,9H,2-4H2,1H3/t6-,7?/m0/s1
InChIKeyIXKIFIOEPYOKLX-PKPIPKONSA-N
XLogP-0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-fluoro-5-(methylamino)piperidine-1-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

azetidine-1-carbaldehyde;3-fluoroazetidine-1-carbaldehyde;methanesulfinate
CID 159630213
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
CID 154158068
3-fluoro-4-hydroxypyrrolidine-1-carbaldehyde;methanesulfonic acid
CID 175215969
3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
1-ethenyl-N-methylazetidin-3-amine
CID 162763164
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(5S)-N,1,5-trimethylpiperidin-3-amine
CID 174025014
4-N-(3-fluorocyclobutyl)-1-N-methylcyclohexane-1,4-diamine
CID 170067909
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 91066084

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde?
The IUPAC name of (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde (CID 164876586) is (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde.
What is the SMILES notation for (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde?
The canonical SMILES for (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde is CNC1C[C@H](F)CN(C=O)C1.
What is the InChIKey of (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde?
The InChIKey is IXKIFIOEPYOKLX-PKPIPKONSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-9-7-2-6(8)3-10(4-7)5-11/h5-7,9H,2-4H2,1H3/t6-,7?/m0/s1.
What are the key properties of (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde?
(3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde has a molecular weight of 160.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-5-(methylamino)piperidine-1-carbaldehyde is sourced from PubChem (CID 164876586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).