4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine

C9H14FN5 — CID 175839994

IUPAC4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
SMILESC[C@]1(F)CCCN(c2ncnc(N)n2)C1
InChIInChI=1S/C9H14FN5/c1-9(10)3-2-4-15(5-9)8-13-6-12-7(11)14-8/h6H,2-5H2,1H3,(H2,11,12,13,14)/t9-/m0/s1
InChIKeyCTMGOKAPDGBCMV-VIFPVBQESA-N
MW211.24 g/mol
LogP0.78
Rot. Bonds1

About 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine

4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 175839994) has the molecular formula C9H14FN5 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID175839994
Molecular FormulaC9H14FN5
Molecular Weight211.24 g/mol
Exact Mass211.12
IUPAC Name4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
SMILESC[C@]1(F)CCCN(c2ncnc(N)n2)C1
InChIInChI=1S/C9H14FN5/c1-9(10)3-2-4-15(5-9)8-13-6-12-7(11)14-8/h6H,2-5H2,1H3,(H2,11,12,13,14)/t9-/m0/s1
InChIKeyCTMGOKAPDGBCMV-VIFPVBQESA-N
XLogP0.78
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperidin-1-yl)-1,3,5-triazin-2-amine
CID 12375054
2-Piperidin-1-yl-1,3,5-triazine
CID 19862008
2-Fluoro-4-piperidin-1-yl-1,3,5-triazine
CID 53694462
4-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
CID 168237723
4-[(3R,4S)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
CID 168237753
4-[(5R)-5-fluoro-3,3-dimethylpiperidin-1-yl]-1,3,5-triazin-2-amine
CID 175869062
4-[(3R)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine
CID 175869067
4-[(5S)-5-fluoro-3,3-dimethylpiperidin-1-yl]-1,3,5-triazin-2-amine
CID 175869096
4-Methylpiperidin-1-yl-1,3,5-triazine
CID 168355022
2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 80829194
4-N,4-N-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 80847820
4-(4-Methylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 17607445

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine (CID 175839994) is 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine is C[C@]1(F)CCCN(c2ncnc(N)n2)C1.
What is the InChIKey of 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is CTMGOKAPDGBCMV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14FN5/c1-9(10)3-2-4-15(5-9)8-13-6-12-7(11)14-8/h6H,2-5H2,1H3,(H2,11,12,13,14)/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine?
4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 211.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 175839994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).