(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid

C19H21FN2O2 — CID 95558835

IUPAC(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-7-5-15(6-8-16)12-19(18(23)24)9-3-11-22(14-19)13-17-4-1-2-10-21-17/h1-2,4-8,10H,3,9,11-14H2,(H,23,24)/t19-/m1/s1
InChIKeyUIPOCXIVSFDOTF-LJQANCHMSA-N
MW328.39 g/mol
LogP3.13
Rot. Bonds5

About (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid

(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 95558835) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID95558835
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c20-16-7-5-15(6-8-16)12-19(18(23)24)9-3-11-22(14-19)13-17-4-1-2-10-21-17/h1-2,4-8,10H,3,9,11-14H2,(H,23,24)/t19-/m1/s1
InChIKeyUIPOCXIVSFDOTF-LJQANCHMSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95545248
(3S)-N-methyl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609608
(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
CID 95551911
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232080
(3S)-N-propan-2-yl-1-(pyridin-2-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579994
1-[(4-fluorophenyl)methyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232340
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 68587067

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid (CID 95558835) is (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(Cc2ccccn2)C1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is UIPOCXIVSFDOTF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-7-5-15(6-8-16)12-19(18(23)24)9-3-11-22(14-19)13-17-4-1-2-10-21-17/h1-2,4-8,10H,3,9,11-14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 95558835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).