1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid

C19H22N2O3 — CID 91843758

IUPAC1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)18-9-2-4-11-21(18)13-15-6-5-8-17(12-15)24-14-16-7-1-3-10-20-16/h1,3,5-8,10,12,18H,2,4,9,11,13-14H2,(H,22,23)
InChIKeyRJTIFVOALBXOMN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds6

About 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid

1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid (PubChem CID 91843758) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
PubChem CID91843758
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C19H22N2O3/c22-19(23)18-9-2-4-11-21(18)13-15-6-5-8-17(12-15)24-14-16-7-1-3-10-20-16/h1,3,5-8,10,12,18H,2,4,9,11,13-14H2,(H,22,23)
InChIKeyRJTIFVOALBXOMN-UHFFFAOYSA-N
XLogP3.10
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[[3-(3-cyanopropoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040326
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
(2S,4S)-4-methoxy-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979882
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid (CID 91843758) is 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid?
The InChIKey is RJTIFVOALBXOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(23)18-9-2-4-11-21(18)13-15-6-5-8-17(12-15)24-14-16-7-1-3-10-20-16/h1,3,5-8,10,12,18H,2,4,9,11,13-14H2,(H,22,23).
What are the key properties of 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid?
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 91843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).