3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine

C14H21F2NS — CID 58115746

IUPAC3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCc1cc(CN2CCCC(F)(F)C2)sc1C(C)C
InChIInChI=1S/C14H21F2NS/c1-10(2)13-11(3)7-12(18-13)8-17-6-4-5-14(15,16)9-17/h7,10H,4-6,8-9H2,1-3H3
InChIKeyDRGZYUCJSURDAN-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.41
Rot. Bonds3

About 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine

3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine (PubChem CID 58115746) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine
PubChem CID58115746
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCc1cc(CN2CCCC(F)(F)C2)sc1C(C)C
InChIInChI=1S/C14H21F2NS/c1-10(2)13-11(3)7-12(18-13)8-17-6-4-5-14(15,16)9-17/h7,10H,4-6,8-9H2,1-3H3
InChIKeyDRGZYUCJSURDAN-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine (CID 58115746) is 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine is Cc1cc(CN2CCCC(F)(F)C2)sc1C(C)C.
What is the InChIKey of 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The InChIKey is DRGZYUCJSURDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-10(2)13-11(3)7-12(18-13)8-17-6-4-5-14(15,16)9-17/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine?
3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine has a molecular weight of 273.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(4-methyl-5-propan-2-ylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 58115746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).