[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid

C10H19FN2O2 — CID 68800969

IUPAC[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid
SMILESCCCC(F)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-3-9(11)13-6-4-8(5-7-13)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyIUKAPLDPNGUIBA-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.81
Rot. Bonds4

About [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid

[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid (PubChem CID 68800969) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid
PubChem CID68800969
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid
SMILESCCCC(F)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-3-9(11)13-6-4-8(5-7-13)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyIUKAPLDPNGUIBA-UHFFFAOYSA-N
XLogP1.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid (CID 68800969) is [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid is CCCC(F)N1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid?
The InChIKey is IUKAPLDPNGUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-3-9(11)13-6-4-8(5-7-13)12-10(14)15/h8-9,12H,2-7H2,1H3,(H,14,15).
What are the key properties of [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid?
[1-(1-fluorobutyl)piperidin-4-yl]carbamic acid has a molecular weight of 218.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluorobutyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68800969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).