[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol

C18H23N3O2 — CID 126804917

IUPAC[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
SMILESCCOc1nccnc1N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C18H23N3O2/c1-2-23-18-17(19-9-10-20-18)21-11-8-16(15(12-21)13-22)14-6-4-3-5-7-14/h3-7,9-10,15-16,22H,2,8,11-13H2,1H3/t15-,16+/m1/s1
InChIKeyOJEPQDYAGJUEHA-CVEARBPZSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds5

About [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol

[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol (PubChem CID 126804917) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
PubChem CID126804917
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol
SMILESCCOc1nccnc1N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C18H23N3O2/c1-2-23-18-17(19-9-10-20-18)21-11-8-16(15(12-21)13-22)14-6-4-3-5-7-14/h3-7,9-10,15-16,22H,2,8,11-13H2,1H3/t15-,16+/m1/s1
InChIKeyOJEPQDYAGJUEHA-CVEARBPZSA-N
XLogP2.48
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-1-(4-methylpyrimidin-2-yl)-4-phenylpiperidin-3-yl]methanol
CID 126810365
1-benzyl-3-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]urea
CID 53185666
[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
CID 129369286
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
1-(3-propoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185753
(E)-but-2-enedioic acid;2-ethoxy-3-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]pyridine
CID 162319685
methyl 5-fluoro-6-[(3R,4R)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]pyridine-3-carboxylate
CID 66905663
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485048

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol (CID 126804917) is [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol is CCOc1nccnc1N1CC[C@@H](c2ccccc2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol?
The InChIKey is OJEPQDYAGJUEHA-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-23-18-17(19-9-10-20-18)21-11-8-16(15(12-21)13-22)14-6-4-3-5-7-14/h3-7,9-10,15-16,22H,2,8,11-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol?
[(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol has a molecular weight of 313.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(3-ethoxypyrazin-2-yl)-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 126804917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).