5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid

C17H19N3O3 — CID 122057709

IUPAC5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(CO)(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H19N3O3/c21-12-17(13-4-2-1-3-5-13)6-8-20(9-7-17)15-11-18-14(10-19-15)16(22)23/h1-5,10-11,21H,6-9,12H2,(H,22,23)
InChIKeyWSWBYOCDOIFHHQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.71
Rot. Bonds4

About 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122057709) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122057709
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(CO)(c3ccccc3)CC2)cn1
InChIInChI=1S/C17H19N3O3/c21-12-17(13-4-2-1-3-5-13)6-8-20(9-7-17)15-11-18-14(10-19-15)16(22)23/h1-5,10-11,21H,6-9,12H2,(H,22,23)
InChIKeyWSWBYOCDOIFHHQ-UHFFFAOYSA-N
XLogP1.71
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
CID 122057284
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 122048029
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 139004895
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
5-[7-methyl-7-(trifluoromethyl)-1,4-oxazepan-4-yl]pyrazine-2-carboxylic acid
CID 167768212
5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 167960122

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid (CID 122057709) is 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(CO)(c3ccccc3)CC2)cn1.
What is the InChIKey of 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is WSWBYOCDOIFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-12-17(13-4-2-1-3-5-13)6-8-20(9-7-17)15-11-18-14(10-19-15)16(22)23/h1-5,10-11,21H,6-9,12H2,(H,22,23).
What are the key properties of 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).