(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid

C15H19ClFNO2 — CID 121333412

IUPAC(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)CCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFNO2/c1-15(2)8-10(14(19)20)6-7-18(15)9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyFBAKIRIJHLCKRQ-SNVBAGLBSA-N
MW299.77 g/mol
LogP3.55
Rot. Bonds3

About (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid

(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 121333412) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid
PubChem CID121333412
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)C[C@H](C(=O)O)CCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C15H19ClFNO2/c1-15(2)8-10(14(19)20)6-7-18(15)9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyFBAKIRIJHLCKRQ-SNVBAGLBSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid (CID 121333412) is (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid is CC1(C)C[C@H](C(=O)O)CCN1Cc1cccc(Cl)c1F.
What is the InChIKey of (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The InChIKey is FBAKIRIJHLCKRQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-15(2)8-10(14(19)20)6-7-18(15)9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid?
(4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 299.77 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 121333412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).