1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine

C14H27FN2 — CID 176561897

IUPAC1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(F)(CN2CCC(C)CC2)CC1
InChIInChI=1S/C14H27FN2/c1-3-16-10-6-14(15,7-11-16)12-17-8-4-13(2)5-9-17/h13H,3-12H2,1-2H3
InChIKeyQYWFISATSQALIF-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.54
Rot. Bonds3

About 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine

1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine (PubChem CID 176561897) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
PubChem CID176561897
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCCN1CCC(F)(CN2CCC(C)CC2)CC1
InChIInChI=1S/C14H27FN2/c1-3-16-10-6-14(15,7-11-16)12-17-8-4-13(2)5-9-17/h13H,3-12H2,1-2H3
InChIKeyQYWFISATSQALIF-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
1-[(1-fluorocyclopropyl)methyl]-3-methylpyrrolidine
CID 130727528
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine
CID 157328296
1-[1-[(1-fluorocyclopropyl)methyl]piperidin-4-yl]ethanamine
CID 130905098
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
CID 176561973
1-[(4-fluorothian-4-yl)methyl]piperidin-4-amine
CID 126845804
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine (CID 176561897) is 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine is CCN1CCC(F)(CN2CCC(C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The InChIKey is QYWFISATSQALIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-3-16-10-6-14(15,7-11-16)12-17-8-4-13(2)5-9-17/h13H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine has a molecular weight of 242.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 176561897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).