1-fluorobutyl(piperidin-3-yl)carbamic acid

C10H19FN2O2 — CID 146368395

IUPAC1-fluorobutyl(piperidin-3-yl)carbamic acid
SMILESCCCC(F)N(C(=O)O)C1CCCNC1
InChIInChI=1S/C10H19FN2O2/c1-2-4-9(11)13(10(14)15)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyMRVCTJOISRDFBY-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.81
Rot. Bonds4

About 1-fluorobutyl(piperidin-3-yl)carbamic acid

1-fluorobutyl(piperidin-3-yl)carbamic acid (PubChem CID 146368395) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-fluorobutyl(piperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name1-fluorobutyl(piperidin-3-yl)carbamic acid
PubChem CID146368395
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name1-fluorobutyl(piperidin-3-yl)carbamic acid
SMILESCCCC(F)N(C(=O)O)C1CCCNC1
InChIInChI=1S/C10H19FN2O2/c1-2-4-9(11)13(10(14)15)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,14,15)
InChIKeyMRVCTJOISRDFBY-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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Related Compounds

[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
N-(2-amino-2-oxoethyl)-N-piperidin-3-yl-2-propylpentanamide
CID 82985484
N,2-dimethyl-N-piperidin-3-ylpentanamide
CID 60806895
N-heptan-4-yl-N-methylpiperidin-3-amine
CID 63644400
N,2-diethyl-N-piperidin-3-ylhexanamide
CID 60807236
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954
3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
CID 79413481
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
2-methyl-N-piperidin-3-yl-N-propylcyclopropane-1-carboxamide
CID 60807764

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl(piperidin-3-yl)carbamic acid?
The IUPAC name of 1-fluorobutyl(piperidin-3-yl)carbamic acid (CID 146368395) is 1-fluorobutyl(piperidin-3-yl)carbamic acid.
What is the SMILES notation for 1-fluorobutyl(piperidin-3-yl)carbamic acid?
The canonical SMILES for 1-fluorobutyl(piperidin-3-yl)carbamic acid is CCCC(F)N(C(=O)O)C1CCCNC1.
What is the InChIKey of 1-fluorobutyl(piperidin-3-yl)carbamic acid?
The InChIKey is MRVCTJOISRDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-4-9(11)13(10(14)15)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-fluorobutyl(piperidin-3-yl)carbamic acid?
1-fluorobutyl(piperidin-3-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-fluorobutyl(piperidin-3-yl)carbamic acid is sourced from PubChem (CID 146368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).