(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol

C15H26N4O — CID 95766588

IUPAC(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2cnc(C)cn2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H26N4O/c1-4-15-11-18(5-6-19(15)9-13(3)20)10-14-8-16-12(2)7-17-14/h7-8,13,15,20H,4-6,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyRBSVBWYRPGFAMU-UKRRQHHQSA-N
MW278.40 g/mol
LogP1.06
Rot. Bonds5

About (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95766588) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID95766588
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2cnc(C)cn2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H26N4O/c1-4-15-11-18(5-6-19(15)9-13(3)20)10-14-8-16-12(2)7-17-14/h7-8,13,15,20H,4-6,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyRBSVBWYRPGFAMU-UKRRQHHQSA-N
XLogP1.06
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol (CID 95766588) is (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol is CC[C@@H]1CN(Cc2cnc(C)cn2)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is RBSVBWYRPGFAMU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-15-11-18(5-6-19(15)9-13(3)20)10-14-8-16-12(2)7-17-14/h7-8,13,15,20H,4-6,9-11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95766588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).