4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde

C15H27FN2O — CID 177254207

IUPAC4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
SMILESCC(C)(F)CN1CCC(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H27FN2O/c1-15(2,16)11-17-7-3-13(4-8-17)14-5-9-18(12-19)10-6-14/h12-14H,3-11H2,1-2H3
InChIKeyRAZZYXDNNDVAAR-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.31
Rot. Bonds4

About 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde

4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde (PubChem CID 177254207) has the molecular formula C15H27FN2O and a molecular weight of 270.39 g/mol. Its IUPAC name is 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
PubChem CID177254207
Molecular FormulaC15H27FN2O
Molecular Weight270.39 g/mol
Exact Mass270.21
IUPAC Name4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
SMILESCC(C)(F)CN1CCC(C2CCN(C=O)CC2)CC1
InChIInChI=1S/C15H27FN2O/c1-15(2,16)11-17-7-3-13(4-8-17)14-5-9-18(12-19)10-6-14/h12-14H,3-11H2,1-2H3
InChIKeyRAZZYXDNNDVAAR-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.31
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

4-(1,1,1-Trifluorobutan-2-yl)piperidine-1-carbaldehyde
CID 145287432
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]piperidine-1-carbaldehyde
CID 175527946
4-[1-(4-Methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
CID 176968506
3-Ethyl-4-(2-fluoroethyl)piperidine-1-carbaldehyde
CID 143016299
4-Fluoro-4-propylpiperidine-1-carbaldehyde
CID 164604159
1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113330
N-[2-(1-bromo-4-fluoro-4,5-dimethylpiperidin-3-yl)-2-methylpropyl]-N-methylformamide
CID 171525908
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 176558507
3,3-Difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine-1-carbaldehyde
CID 177134533
4-Propan-2-ylpiperidine-1-carbaldehyde
CID 45083861
3-Propan-2-ylpiperidine-1-carbaldehyde
CID 57813067
CID 57918918
CID 57918918

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde (CID 177254207) is 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde is CC(C)(F)CN1CCC(C2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde?
The InChIKey is RAZZYXDNNDVAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O/c1-15(2,16)11-17-7-3-13(4-8-17)14-5-9-18(12-19)10-6-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde?
4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde has a molecular weight of 270.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 177254207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).