(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one

C10H18FNO2 — CID 139353882

IUPAC(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
SMILESC[C@H](O)CC(=O)N1CC[C@H](C)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-7-3-4-12(6-9(7)11)10(14)5-8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-,9?/m0/s1
InChIKeyVFYUEMZHNGCGOQ-JVIMKECRSA-N
MW203.26 g/mol
LogP0.96
Rot. Bonds2

About (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one

(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one (PubChem CID 139353882) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
PubChem CID139353882
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one
SMILESC[C@H](O)CC(=O)N1CC[C@H](C)C(F)C1
InChIInChI=1S/C10H18FNO2/c1-7-3-4-12(6-9(7)11)10(14)5-8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-,9?/m0/s1
InChIKeyVFYUEMZHNGCGOQ-JVIMKECRSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one?
The IUPAC name of (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one (CID 139353882) is (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one?
The canonical SMILES for (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one is C[C@H](O)CC(=O)N1CC[C@H](C)C(F)C1.
What is the InChIKey of (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one?
The InChIKey is VFYUEMZHNGCGOQ-JVIMKECRSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7-3-4-12(6-9(7)11)10(14)5-8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-,9?/m0/s1.
What are the key properties of (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one?
(3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one has a molecular weight of 203.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4S)-3-fluoro-4-methylpiperidin-1-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 139353882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).