[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol

C20H27N3O — CID 56747896

IUPAC[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
SMILESCc1cnc(C)c(N2CCC(CO)(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N3O/c1-16-14-21-17(2)19(22-16)23-12-10-20(15-24,11-13-23)9-8-18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3
InChIKeyLSKVQIWSWBWSRE-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.31
Rot. Bonds5

About [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol

[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol (PubChem CID 56747896) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
PubChem CID56747896
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
SMILESCc1cnc(C)c(N2CCC(CO)(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N3O/c1-16-14-21-17(2)19(22-16)23-12-10-20(15-24,11-13-23)9-8-18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3
InChIKeyLSKVQIWSWBWSRE-UHFFFAOYSA-N
XLogP3.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol (CID 56747896) is [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol is Cc1cnc(C)c(N2CCC(CO)(CCc3ccccc3)CC2)n1.
What is the InChIKey of [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol?
The InChIKey is LSKVQIWSWBWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-14-21-17(2)19(22-16)23-12-10-20(15-24,11-13-23)9-8-18-6-4-3-5-7-18/h3-7,14,24H,8-13,15H2,1-2H3.
What are the key properties of [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol?
[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol has a molecular weight of 325.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56747896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).