(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid

C15H21FN2O3 — CID 155127712

IUPAC(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid
SMILESCCC[C@H]1CCC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-2-4-12-5-3-6-13(18(12)15(20)21)14(19)10-7-11(16)9-17-8-10/h7-9,12-14,19H,2-6H2,1H3,(H,20,21)/t12-,13+,14+/m0/s1
InChIKeyCSELLRYQTLRIEB-BFHYXJOUSA-N
MW296.34 g/mol
LogP2.96
Rot. Bonds4

About (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid

(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid (PubChem CID 155127712) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid
PubChem CID155127712
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid
SMILESCCC[C@H]1CCC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C15H21FN2O3/c1-2-4-12-5-3-6-13(18(12)15(20)21)14(19)10-7-11(16)9-17-8-10/h7-9,12-14,19H,2-6H2,1H3,(H,20,21)/t12-,13+,14+/m0/s1
InChIKeyCSELLRYQTLRIEB-BFHYXJOUSA-N
XLogP2.96
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid?
The IUPAC name of (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid (CID 155127712) is (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid?
The canonical SMILES for (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid is CCC[C@H]1CCC[C@H]([C@H](O)c2cncc(F)c2)N1C(=O)O.
What is the InChIKey of (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid?
The InChIKey is CSELLRYQTLRIEB-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-2-4-12-5-3-6-13(18(12)15(20)21)14(19)10-7-11(16)9-17-8-10/h7-9,12-14,19H,2-6H2,1H3,(H,20,21)/t12-,13+,14+/m0/s1.
What are the key properties of (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid?
(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid has a molecular weight of 296.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid is sourced from PubChem (CID 155127712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).