(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

C16H25N3O2 — CID 10708715

IUPAC(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(CCO)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(17)16(21)19-8-7-18(9-10-20)12-15(19)11-14-5-3-2-4-6-14/h2-6,13,15,20H,7-12,17H2,1H3/t13-,15+/m1/s1
InChIKeyYQFRTAKEZXWOEC-HIFRSBDPSA-N
MW291.39 g/mol
LogP0.08
Rot. Bonds5

About (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 10708715) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
PubChem CID10708715
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(CCO)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-13(17)16(21)19-8-7-18(9-10-20)12-15(19)11-14-5-3-2-4-6-14/h2-6,13,15,20H,7-12,17H2,1H3/t13-,15+/m1/s1
InChIKeyYQFRTAKEZXWOEC-HIFRSBDPSA-N
XLogP0.08
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
2-amino-1-(2-benzylpyrrolidin-1-yl)hexan-1-one
CID 60938876
(2S)-2-amino-1-[2-(naphthalen-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 84589154
(2S)-2-amino-1-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 99704618
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
1-(2-benzylpyrrolidin-1-yl)-3-bromo-2-methylpropan-1-one
CID 159719020
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (CID 10708715) is (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(CCO)C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is YQFRTAKEZXWOEC-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(17)16(21)19-8-7-18(9-10-20)12-15(19)11-14-5-3-2-4-6-14/h2-6,13,15,20H,7-12,17H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2S)-2-benzyl-4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10708715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).