dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol

C10H18FNO — CID 178101307

IUPACdideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol
SMILES[2H]C([2H])([2H])N1C[C@@](C)(C([2H])([2H])O)/C(=C/F)C[C@H]1C
InChIInChI=1S/C10H18FNO/c1-8-4-9(5-11)10(2,7-13)6-12(8)3/h5,8,13H,4,6-7H2,1-3H3/b9-5+/t8-,10+/m1/s1/i3D3,7D2
InChIKeyGSMJMFASAKQMGD-RBWXAPBQSA-N
MW192.29 g/mol
LogP1.56
Rot. Bonds2

About dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol

dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol (PubChem CID 178101307) has the molecular formula C10H18FNO and a molecular weight of 192.29 g/mol. Its IUPAC name is dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Namedideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol
PubChem CID178101307
Molecular FormulaC10H18FNO
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Namedideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol
SMILES[2H]C([2H])([2H])N1C[C@@](C)(C([2H])([2H])O)/C(=C/F)C[C@H]1C
InChIInChI=1S/C10H18FNO/c1-8-4-9(5-11)10(2,7-13)6-12(8)3/h5,8,13H,4,6-7H2,1-3H3/b9-5+/t8-,10+/m1/s1/i3D3,7D2
InChIKeyGSMJMFASAKQMGD-RBWXAPBQSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol?
The IUPAC name of dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol (CID 178101307) is dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol.
What is the SMILES notation for dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol?
The canonical SMILES for dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol is [2H]C([2H])([2H])N1C[C@@](C)(C([2H])([2H])O)/C(=C/F)C[C@H]1C.
What is the InChIKey of dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol?
The InChIKey is GSMJMFASAKQMGD-RBWXAPBQSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8-4-9(5-11)10(2,7-13)6-12(8)3/h5,8,13H,4,6-7H2,1-3H3/b9-5+/t8-,10+/m1/s1/i3D3,7D2.
What are the key properties of dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol?
dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol has a molecular weight of 192.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[(3S,4E,6R)-4-(fluoromethylidene)-3,6-dimethyl-1-(trideuteriomethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 178101307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).