[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid

C9H17FN2O2 — CID 68841152

IUPAC[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid
SMILESCN1CCC(CNC(=O)O)CC1CF
InChIInChI=1S/C9H17FN2O2/c1-12-3-2-7(4-8(12)5-10)6-11-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)
InChIKeyLZMDVFFYRPGCNG-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.93
Rot. Bonds3

About [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid

[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid (PubChem CID 68841152) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid
PubChem CID68841152
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid
SMILESCN1CCC(CNC(=O)O)CC1CF
InChIInChI=1S/C9H17FN2O2/c1-12-3-2-7(4-8(12)5-10)6-11-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14)
InChIKeyLZMDVFFYRPGCNG-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid?
The IUPAC name of [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid (CID 68841152) is [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid is CN1CCC(CNC(=O)O)CC1CF.
What is the InChIKey of [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid?
The InChIKey is LZMDVFFYRPGCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-12-3-2-7(4-8(12)5-10)6-11-9(13)14/h7-8,11H,2-6H2,1H3,(H,13,14).
What are the key properties of [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid?
[2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid has a molecular weight of 204.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-1-methylpiperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 68841152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).