[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid

C11H20F2N2O2 — CID 91414119

IUPAC[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCN1CCC(F)(F)CC1)NC(=O)O
InChIInChI=1S/C11H20F2N2O2/c1-10(2,14-9(16)17)3-6-15-7-4-11(12,13)5-8-15/h14H,3-8H2,1-2H3,(H,16,17)
InChIKeyREYWHYGXSHATPT-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.15
Rot. Bonds4

About [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid

[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid (PubChem CID 91414119) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid
PubChem CID91414119
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid
SMILESCC(C)(CCN1CCC(F)(F)CC1)NC(=O)O
InChIInChI=1S/C11H20F2N2O2/c1-10(2,14-9(16)17)3-6-15-7-4-11(12,13)5-8-15/h14H,3-8H2,1-2H3,(H,16,17)
InChIKeyREYWHYGXSHATPT-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]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

Related Compounds

(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
CID 175454459
4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
CID 116991196
(E)-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-methylbut-2-enedioic acid
CID 141430800
1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-methylurea
CID 77059127
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
CID 7241619
3-(4,4-difluoroazepan-1-yl)propanoic acid
CID 115025049
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4,4-difluoro-1-heptylpiperidine
CID 138507375
4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 116991077
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123921110
4-O-[2-(4,4-difluoropiperidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 85471584

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid?
The IUPAC name of [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid (CID 91414119) is [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid.
What is the SMILES notation for [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid?
The canonical SMILES for [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid is CC(C)(CCN1CCC(F)(F)CC1)NC(=O)O.
What is the InChIKey of [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid?
The InChIKey is REYWHYGXSHATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,14-9(16)17)3-6-15-7-4-11(12,13)5-8-15/h14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid?
[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid has a molecular weight of 250.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid is sourced from PubChem (CID 91414119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).