(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol

C15H25N3O — CID 95610921

IUPAC(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(CCc2ccncc2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H25N3O/c1-13-11-17(9-10-18(13)12-14(2)19)8-5-15-3-6-16-7-4-15/h3-4,6-7,13-14,19H,5,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyZUOLXEWZYVBZKH-ZIAGYGMSSA-N
MW263.38 g/mol
LogP1.01
Rot. Bonds5

About (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 95610921) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
PubChem CID95610921
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H]1CN(CCc2ccncc2)CCN1C[C@@H](C)O
InChIInChI=1S/C15H25N3O/c1-13-11-17(9-10-18(13)12-14(2)19)8-5-15-3-6-16-7-4-15/h3-4,6-7,13-14,19H,5,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyZUOLXEWZYVBZKH-ZIAGYGMSSA-N
XLogP1.01
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol (CID 95610921) is (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol is C[C@@H]1CN(CCc2ccncc2)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is ZUOLXEWZYVBZKH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13-11-17(9-10-18(13)12-14(2)19)8-5-15-3-6-16-7-4-15/h3-4,6-7,13-14,19H,5,8-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95610921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).