(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid

C12H23FN2O2 — CID 68804194

IUPAC(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
SMILESCCCC(F)N(C(=O)O)C1CCN(CC)CC1
InChIInChI=1S/C12H23FN2O2/c1-3-5-11(13)15(12(16)17)10-6-8-14(4-2)9-7-10/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyRMVLGTFHOGWBBQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.55
Rot. Bonds5

About (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid

(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid (PubChem CID 68804194) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
PubChem CID68804194
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
SMILESCCCC(F)N(C(=O)O)C1CCN(CC)CC1
InChIInChI=1S/C12H23FN2O2/c1-3-5-11(13)15(12(16)17)10-6-8-14(4-2)9-7-10/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyRMVLGTFHOGWBBQ-UHFFFAOYSA-N
XLogP2.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid?
The IUPAC name of (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid (CID 68804194) is (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid?
The canonical SMILES for (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid is CCCC(F)N(C(=O)O)C1CCN(CC)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid?
The InChIKey is RMVLGTFHOGWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-3-5-11(13)15(12(16)17)10-6-8-14(4-2)9-7-10/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid?
(1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid has a molecular weight of 246.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid is sourced from PubChem (CID 68804194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).