1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid

C11H17F2NO2 — CID 115039380

IUPAC1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCN(C2CCC2)CC1
InChIInChI=1S/C11H17F2NO2/c12-9(13)11(10(15)16)4-6-14(7-5-11)8-2-1-3-8/h8-9H,1-7H2,(H,15,16)
InChIKeyBWVATQKUFNFSNB-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.97
Rot. Bonds3

About 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid

1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid (PubChem CID 115039380) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
PubChem CID115039380
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(C(F)F)CCN(C2CCC2)CC1
InChIInChI=1S/C11H17F2NO2/c12-9(13)11(10(15)16)4-6-14(7-5-11)8-2-1-3-8/h8-9H,1-7H2,(H,15,16)
InChIKeyBWVATQKUFNFSNB-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
CID 115022243
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
CID 115045866
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
3-propan-2-yl-1-(thian-4-yl)pyrrolidine-3-carboxylic acid
CID 106984771
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid (CID 115039380) is 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid is O=C(O)C1(C(F)F)CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is BWVATQKUFNFSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-9(13)11(10(15)16)4-6-14(7-5-11)8-2-1-3-8/h8-9H,1-7H2,(H,15,16).
What are the key properties of 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid?
1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 233.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(difluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 115039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).