(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

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

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Launch Full Analysis

Related Compounds

(2R)-1-[(2S)-2-ethyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 97027080
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
(2R)-1-[(2R)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978172
(2R)-1-[(2S)-4-[3-(1,3-benzoxazol-2-yl)propyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95978173
(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
CID 124740064
2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98148838
(2S)-1-[(2S)-4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98767218
(2R)-1-[(2S)-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98763698

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).