(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid

C10H12FN3O2 — CID 95731987

IUPAC(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)/t7-/m0/s1
InChIKeyZTBLITPEVYVIAH-ZETCQYMHSA-N
MW225.22 g/mol
LogP0.92
Rot. Bonds2

About (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid

(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 95731987) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID95731987
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H12FN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)/t7-/m0/s1
InChIKeyZTBLITPEVYVIAH-ZETCQYMHSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
1-(5-bromopyrimidin-2-yl)piperidine-3-carboxylic Acid
CID 2761042
(3R,5S)-5-[[(2E)-2-(pyrimidin-5-ylmethylidene)hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155556038
1-(Pyrimidin-4-yl)piperidine-3-carboxylic acid hydrochloride
CID 177800057
1-(5-Fluoropyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56879120
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-Pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902
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
[2-(1-Pyrimidin-2-ylpiperidin-4-yl)acetyl] 2,2,2-trifluoroacetate
CID 87189155

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid (CID 95731987) is (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is ZTBLITPEVYVIAH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-4-12-10(13-5-8)14-3-1-2-7(6-14)9(15)16/h4-5,7H,1-3,6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid?
(3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95731987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).