[5-(fluoromethyl)piperidin-3-yl]carbamic acid

C7H13FN2O2 — CID 67130256

IUPAC[5-(fluoromethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC(CF)C1
InChIInChI=1S/C7H13FN2O2/c8-2-5-1-6(4-9-3-5)10-7(11)12/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyNCENQERGJPGAEE-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.20
Rot. Bonds2

About [5-(fluoromethyl)piperidin-3-yl]carbamic acid

[5-(fluoromethyl)piperidin-3-yl]carbamic acid (PubChem CID 67130256) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is [5-(fluoromethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(fluoromethyl)piperidin-3-yl]carbamic acid
PubChem CID67130256
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name[5-(fluoromethyl)piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC(CF)C1
InChIInChI=1S/C7H13FN2O2/c8-2-5-1-6(4-9-3-5)10-7(11)12/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyNCENQERGJPGAEE-UHFFFAOYSA-N
XLogP0.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-1-tert-butyl-4-fluoropiperidin-3-yl]carbamic acid
CID 67130221
[(3R,4R)-1-tert-butyl-4-fluoropiperidin-3-yl]carbamic acid
CID 67130245
(4-Fluoropiperidin-3-yl)carbamic acid
CID 67347591
[5-(Trifluoromethyl)piperidin-3-yl]carbamic acid
CID 67500544
[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
CID 67502493
3-Amino-5-fluoropiperidine-1-carboxylic acid
CID 67971756
Tert-butyl-[5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420391
tert-butyl-[(3R,5S)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
CID 68420392
[(3S,4S)-4-fluoropiperidin-3-yl]carbamic acid
CID 68558667
(3-Fluoropiperidin-4-yl)carbamic acid
CID 68560068
[(3S,4R)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560071
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075

Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [5-(fluoromethyl)piperidin-3-yl]carbamic acid (CID 67130256) is [5-(fluoromethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [5-(fluoromethyl)piperidin-3-yl]carbamic acid is O=C(O)NC1CNCC(CF)C1.
What is the InChIKey of [5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The InChIKey is NCENQERGJPGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-2-5-1-6(4-9-3-5)10-7(11)12/h5-6,9-10H,1-4H2,(H,11,12).
What are the key properties of [5-(fluoromethyl)piperidin-3-yl]carbamic acid?
[5-(fluoromethyl)piperidin-3-yl]carbamic acid has a molecular weight of 176.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 67130256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).