1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid

C13H18FN3O2 — CID 104605914

IUPAC1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-3-13(11(18)19)4-6-17(7-5-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeySXLDZCJDQGYDSJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.09
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 104605914) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID104605914
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-3-13(11(18)19)4-6-17(7-5-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3,(H,18,19)
InChIKeySXLDZCJDQGYDSJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-(5-Bromopyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2761041
8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118742584
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 57962475
1-(5-Fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 60137804
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66881245
1-(5-Bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
CID 66981272
1-[(5-Bromopyrimidin-2-yl)-fluoromethyl]-2-ethyl-4-methylpiperidine-4-carboxylic acid
CID 66981688
[2-(4-Ethoxycarbonyl-4-fluoropiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 89924179

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid (CID 104605914) is 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is SXLDZCJDQGYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-3-13(11(18)19)4-6-17(7-5-13)12-15-8-10(14)9-16-12/h8-9H,2-7H2,1H3,(H,18,19).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 104605914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).