cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid

C9H15FN2O2 — CID 71093751

IUPACcyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
SMILESO=C(O)N(C1CC1)[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H15FN2O2/c10-7-5-11-4-3-8(7)12(9(13)14)6-1-2-6/h6-8,11H,1-5H2,(H,13,14)/t7-,8+/m0/s1
InChIKeyTZLCVZVKTLFXLE-JGVFFNPUSA-N
MW202.23 g/mol
LogP0.83
Rot. Bonds2

About cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid

cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid (PubChem CID 71093751) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
PubChem CID71093751
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Namecyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
SMILESO=C(O)N(C1CC1)[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H15FN2O2/c10-7-5-11-4-3-8(7)12(9(13)14)6-1-2-6/h6-8,11H,1-5H2,(H,13,14)/t7-,8+/m0/s1
InChIKeyTZLCVZVKTLFXLE-JGVFFNPUSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(3-piperidin-3-ylpiperidin-4-yl)carbamic acid
CID 118163553
benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
CID 68612218
[(3R,4S)-3-fluoropiperidin-4-yl]methyl-methylcarbamic acid
CID 69415587
N-cyclopropyl-N-pyrrolidin-3-ylacetamide
CID 66569466
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
CID 67307566
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?
The IUPAC name of cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid (CID 71093751) is cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid is O=C(O)N(C1CC1)[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?
The InChIKey is TZLCVZVKTLFXLE-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15FN2O2/c10-7-5-11-4-3-8(7)12(9(13)14)6-1-2-6/h6-8,11H,1-5H2,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid?
cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid has a molecular weight of 202.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid is sourced from PubChem (CID 71093751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).