(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid

C14H18FNO4 — CID 69111097

IUPAC(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)O)CC[C@@]1(OC)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-19-12-9-16(13(17)18)8-7-14(12,20-2)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyDVMONNSBFLOFMO-TZMCWYRMSA-N
MW283.30 g/mol
LogP2.07
Rot. Bonds3

About (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid

(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid (PubChem CID 69111097) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid
PubChem CID69111097
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)O)CC[C@@]1(OC)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO4/c1-19-12-9-16(13(17)18)8-7-14(12,20-2)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyDVMONNSBFLOFMO-TZMCWYRMSA-N
XLogP2.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic 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 (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid (CID 69111097) is (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid is CO[C@@H]1CN(C(=O)O)CC[C@@]1(OC)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid?
The InChIKey is DVMONNSBFLOFMO-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-19-12-9-16(13(17)18)8-7-14(12,20-2)10-3-5-11(15)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid?
(3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-fluorophenyl)-3,4-dimethoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69111097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).