cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone

C12H17F2NO — CID 129349149

IUPACcyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2=CCCC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1
InChIKeyJWHUXRYHUHPNNQ-VIFPVBQESA-N
MW229.27 g/mol
LogP2.60
Rot. Bonds1

About cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone

cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone (PubChem CID 129349149) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone
PubChem CID129349149
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Namecyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2=CCCC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1
InChIKeyJWHUXRYHUHPNNQ-VIFPVBQESA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone (CID 129349149) is cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone is C[C@H]1CN(C(=O)C2=CCCC2)CCC1(F)F.
What is the InChIKey of cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone?
The InChIKey is JWHUXRYHUHPNNQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h4,9H,2-3,5-8H2,1H3/t9-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone?
cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone has a molecular weight of 229.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 129349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).