(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid

C19H21ClN2O3 — CID 95556205

IUPAC(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C19H21ClN2O3/c20-15-7-8-17(21-13-15)22-11-4-9-19(14-22,18(23)24)10-12-25-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyUFRIBLNOAOLJSJ-LJQANCHMSA-N
MW360.84 g/mol
LogP3.88
Rot. Bonds6

About (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid

(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid (PubChem CID 95556205) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
PubChem CID95556205
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C19H21ClN2O3/c20-15-7-8-17(21-13-15)22-11-4-9-19(14-22,18(23)24)10-12-25-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyUFRIBLNOAOLJSJ-LJQANCHMSA-N
XLogP3.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
3-(2-methoxyethyl)-1-pyridazin-3-ylpiperidine-3-carboxylic acid
CID 86283726
1-(2-phenoxyethyl)cyclopropane-1-carboxylic acid
CID 66025511
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
(3R)-3-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxylic acid
CID 95220617
(3S)-3-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-3-carboxylic acid
CID 95550938
(3R)-3-(2-methoxyethyl)-1-(3-methoxypyrazin-2-yl)piperidine-3-carboxylic acid
CID 97128634
[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 72901356
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
7-(5-chloro-2-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 56749174
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid (CID 95556205) is (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid is O=C(O)[C@@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is UFRIBLNOAOLJSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-15-7-8-17(21-13-15)22-11-4-9-19(14-22,18(23)24)10-12-25-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid?
(3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 360.84 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-pyridinyl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95556205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).