4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine

C11H21FN2S — CID 115039145

IUPAC4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
SMILESNC1(CF)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21FN2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2
InChIKeyFRQDHWKJBXMOFW-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.64
Rot. Bonds2

About 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine

4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine (PubChem CID 115039145) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
PubChem CID115039145
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
SMILESNC1(CF)CCN(C2CCSCC2)CC1
InChIInChI=1S/C11H21FN2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2
InChIKeyFRQDHWKJBXMOFW-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
[4-Fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115039146
3-(Difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115046720
4-(Difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115046721
1-(1,1-Dioxothian-4-yl)-4-(fluoromethyl)piperidin-4-amine
CID 115049254
[4-(Difluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115049258
[4-(Fluoromethyl)-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115055623
4-(Fluoromethyl)-1-(thian-4-yl)azepan-4-amine
CID 115055747
N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115603238

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine (CID 115039145) is 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine is NC1(CF)CCN(C2CCSCC2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
The InChIKey is FRQDHWKJBXMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S/c12-9-11(13)3-5-14(6-4-11)10-1-7-15-8-2-10/h10H,1-9,13H2.
What are the key properties of 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine?
4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 115039145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).