(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one

C10H17BrN2O2 — CID 125136122

IUPAC(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESC=C(Br)CN1CCN(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)10(15)9(2)14/h9,14H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyXZZCECZPTWNHMA-SECBINFHSA-N
MW277.16 g/mol
LogP0.42
Rot. Bonds3

About (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 125136122) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID125136122
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESC=C(Br)CN1CCN(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)10(15)9(2)14/h9,14H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyXZZCECZPTWNHMA-SECBINFHSA-N
XLogP0.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 146606685
(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95302580
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
1-[4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 136538406
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one (CID 125136122) is (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one is C=C(Br)CN1CCN(C(=O)[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is XZZCECZPTWNHMA-SECBINFHSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-8(11)7-12-3-5-13(6-4-12)10(15)9(2)14/h9,14H,1,3-7H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 277.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 125136122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).