dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol

C11H18FNO — CID 171798855

IUPACdideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILES[2H]C([2H])(O)C1(C([2H])([2H])N2CCC(=CF)CC2)CC1
InChIInChI=1S/C11H18FNO/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11/h7,14H,1-6,8-9H2/i8D2,9D2
InChIKeyPBKKGXBNRJKHNC-LZMSFWOYSA-N
MW203.29 g/mol
LogP1.71
Rot. Bonds3

About dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol

dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 171798855) has the molecular formula C11H18FNO and a molecular weight of 203.29 g/mol. Its IUPAC name is dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Namedideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
PubChem CID171798855
Molecular FormulaC11H18FNO
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Namedideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol
SMILES[2H]C([2H])(O)C1(C([2H])([2H])N2CCC(=CF)CC2)CC1
InChIInChI=1S/C11H18FNO/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11/h7,14H,1-6,8-9H2/i8D2,9D2
InChIKeyPBKKGXBNRJKHNC-LZMSFWOYSA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol (CID 171798855) is dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol is [2H]C([2H])(O)C1(C([2H])([2H])N2CCC(=CF)CC2)CC1.
What is the InChIKey of dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is PBKKGXBNRJKHNC-LZMSFWOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-7-10-1-5-13(6-2-10)8-11(9-14)3-4-11/h7,14H,1-6,8-9H2/i8D2,9D2.
What are the key properties of dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol?
dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 203.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[1-[dideuterio-[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 171798855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).