1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid

C19H22FN3O2 — CID 56767542

IUPAC1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCCCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c1-2-4-16-11-17(23-10-3-5-14(12-23)19(24)25)22-18(21-16)13-6-8-15(20)9-7-13/h6-9,11,14H,2-5,10,12H2,1H3,(H,24,25)
InChIKeyRLVXHZYNBICHOP-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.54
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid

1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 56767542) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID56767542
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESCCCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H22FN3O2/c1-2-4-16-11-17(23-10-3-5-14(12-23)19(24)25)22-18(21-16)13-6-8-15(20)9-7-13/h6-9,11,14H,2-5,10,12H2,1H3,(H,24,25)
InChIKeyRLVXHZYNBICHOP-UHFFFAOYSA-N
XLogP3.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
(3S)-N-butyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065789
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
2-[4-[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768570
[(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93058074
1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
N-(3-ethoxypropyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006548
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
1-[6-(3,5-difluorophenyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 56770353

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid (CID 56767542) is 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid is CCCc1cc(N2CCCC(C(=O)O)C2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is RLVXHZYNBICHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-4-16-11-17(23-10-3-5-14(12-23)19(24)25)22-18(21-16)13-6-8-15(20)9-7-13/h6-9,11,14H,2-5,10,12H2,1H3,(H,24,25).
What are the key properties of 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-propylpyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).