4-benzyl-4-fluoropiperidine;ethane

C14H22FN — CID 154662481

IUPAC4-benzyl-4-fluoropiperidine;ethane
SMILESCC.FC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C12H16FN.C2H6/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11;1-2/h1-5,14H,6-10H2;1-2H3
InChIKeyUWDGGKIWMWPBKG-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.35
Rot. Bonds2

About 4-benzyl-4-fluoropiperidine;ethane

4-benzyl-4-fluoropiperidine;ethane (PubChem CID 154662481) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-benzyl-4-fluoropiperidine;ethane.

Molecular Properties

Compound Name4-benzyl-4-fluoropiperidine;ethane
PubChem CID154662481
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-benzyl-4-fluoropiperidine;ethane
SMILESCC.FC1(Cc2ccccc2)CCNCC1
InChIInChI=1S/C12H16FN.C2H6/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11;1-2/h1-5,14H,6-10H2;1-2H3
InChIKeyUWDGGKIWMWPBKG-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-4-[(4-iodophenyl)methyl]piperidine
CID 112563230
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
CID 105496458
4-benzyl-4-fluorothiane
CID 84723196
2-[(4-fluoropiperidin-4-yl)methyl]phenol
CID 105462993
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
5-[(4-fluoropiperidin-4-yl)methyl]-2-methylpyridine
CID 163385935
3-benzyl-3-methylpyrrolidine
CID 58254769
4-benzylpiperidine-4-carboxylic acid
CID 18365178
4-fluoro-4-(3-phenylpropyl)azepane
CID 103984045
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-fluoropiperidine;ethane?
The IUPAC name of 4-benzyl-4-fluoropiperidine;ethane (CID 154662481) is 4-benzyl-4-fluoropiperidine;ethane.
What is the SMILES notation for 4-benzyl-4-fluoropiperidine;ethane?
The canonical SMILES for 4-benzyl-4-fluoropiperidine;ethane is CC.FC1(Cc2ccccc2)CCNCC1.
What is the InChIKey of 4-benzyl-4-fluoropiperidine;ethane?
The InChIKey is UWDGGKIWMWPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN.C2H6/c13-12(6-8-14-9-7-12)10-11-4-2-1-3-5-11;1-2/h1-5,14H,6-10H2;1-2H3.
What are the key properties of 4-benzyl-4-fluoropiperidine;ethane?
4-benzyl-4-fluoropiperidine;ethane has a molecular weight of 223.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-fluoropiperidine;ethane is sourced from PubChem (CID 154662481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).