[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid

C8H15FN2O2 — CID 69415587

IUPAC[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
SMILESCN(C[C@@H]1CCNC[C@@H]1F)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-11(8(12)13)5-6-2-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyVWXYKJXHSSJSFC-BQBZGAKWSA-N
MW190.22 g/mol
LogP0.54
Rot. Bonds2

About [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid

[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid (PubChem CID 69415587) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
PubChem CID69415587
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
SMILESCN(C[C@@H]1CCNC[C@@H]1F)C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-11(8(12)13)5-6-2-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1
InChIKeyVWXYKJXHSSJSFC-BQBZGAKWSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
CID 134280659
cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
CID 71093751
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid?
The IUPAC name of [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid (CID 69415587) is [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid?
The canonical SMILES for [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid is CN(C[C@@H]1CCNC[C@@H]1F)C(=O)O.
What is the InChIKey of [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid?
The InChIKey is VWXYKJXHSSJSFC-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-11(8(12)13)5-6-2-3-10-4-7(6)9/h6-7,10H,2-5H2,1H3,(H,12,13)/t6-,7-/m0/s1.
What are the key properties of [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid?
[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid has a molecular weight of 190.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 69415587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).