(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

C19H26N4O — CID 124840043

IUPAC(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1cnc(CN2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cn1
InChIInChI=1S/C19H26N4O/c1-15-10-21-18(11-20-15)13-22-8-9-23(16(2)12-22)14-19(24)17-6-4-3-5-7-17/h3-7,10-11,16,19,24H,8-9,12-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyCXSKKKQZEDKWRG-VQIMIIECSA-N
MW326.44 g/mol
LogP2.02
Rot. Bonds5

About (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol

(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 124840043) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
PubChem CID124840043
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
SMILESCc1cnc(CN2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cn1
InChIInChI=1S/C19H26N4O/c1-15-10-21-18(11-20-15)13-22-8-9-23(16(2)12-22)14-19(24)17-6-4-3-5-7-17/h3-7,10-11,16,19,24H,8-9,12-14H2,1-2H3/t16-,19-/m1/s1
InChIKeyCXSKKKQZEDKWRG-VQIMIIECSA-N
XLogP2.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol with MolForge

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Related Compounds

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(2R)-1-[(2S)-2-methyl-4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol (CID 124840043) is (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is Cc1cnc(CN2CCN(C[C@@H](O)c3ccccc3)[C@H](C)C2)cn1.
What is the InChIKey of (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is CXSKKKQZEDKWRG-VQIMIIECSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-10-21-18(11-20-15)13-22-8-9-23(16(2)12-22)14-19(24)17-6-4-3-5-7-17/h3-7,10-11,16,19,24H,8-9,12-14H2,1-2H3/t16-,19-/m1/s1.
What are the key properties of (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol?
(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 326.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 124840043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).