4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine

C18H22FNS — CID 19784424

IUPAC4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2ccsc2Cc2ccccc2F)CC1
InChIInChI=1S/C18H22FNS/c1-20-9-6-14(7-10-20)12-16-8-11-21-18(16)13-15-4-2-3-5-17(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyYXVNYRMSCJLLIU-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.36
Rot. Bonds4

About 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine

4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine (PubChem CID 19784424) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine
PubChem CID19784424
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2ccsc2Cc2ccccc2F)CC1
InChIInChI=1S/C18H22FNS/c1-20-9-6-14(7-10-20)12-16-8-11-21-18(16)13-15-4-2-3-5-17(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyYXVNYRMSCJLLIU-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine (CID 19784424) is 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine is CN1CCC(Cc2ccsc2Cc2ccccc2F)CC1.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine?
The InChIKey is YXVNYRMSCJLLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-20-9-6-14(7-10-20)12-16-8-11-21-18(16)13-15-4-2-3-5-17(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3.
What are the key properties of 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine?
4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine has a molecular weight of 303.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methyl]thiophen-3-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 19784424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).