(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one

C15H23N3O — CID 119838010

IUPAC(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(16)15(19)18-11-9-17(10-12-18)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3/t13-/m1/s1
InChIKeyDNMNFWCSQHDZIJ-CYBMUJFWSA-N
MW261.37 g/mol
LogP0.72
Rot. Bonds4

About (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one (PubChem CID 119838010) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
PubChem CID119838010
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-13(16)15(19)18-11-9-17(10-12-18)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3/t13-/m1/s1
InChIKeyDNMNFWCSQHDZIJ-CYBMUJFWSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119399410
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
2-amino-1-(4-benzylsulfonylpiperazin-1-yl)propan-1-one
CID 119270045
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
2-amino-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 75449499
2-amino-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 59935068
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one (CID 119838010) is (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is DNMNFWCSQHDZIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(16)15(19)18-11-9-17(10-12-18)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119838010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).