4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid

C15H22N2O3 — CID 69174920

IUPAC4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid
SMILESC[C@H](C(O)Cc1ccccc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-12(14(18)11-13-5-3-2-4-6-13)16-7-9-17(10-8-16)15(19)20/h2-6,12,14,18H,7-11H2,1H3,(H,19,20)/t12-,14?/m1/s1
InChIKeyGNBAQNVCHPXDRB-PUODRLBUSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds4

About 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid

4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid (PubChem CID 69174920) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid
PubChem CID69174920
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid
SMILESC[C@H](C(O)Cc1ccccc1)N1CCN(C(=O)O)CC1
InChIInChI=1S/C15H22N2O3/c1-12(14(18)11-13-5-3-2-4-6-13)16-7-9-17(10-8-16)15(19)20/h2-6,12,14,18H,7-11H2,1H3,(H,19,20)/t12-,14?/m1/s1
InChIKeyGNBAQNVCHPXDRB-PUODRLBUSA-N
XLogP1.27
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399548
2-(4-acetylpiperazin-1-yl)-3-phenylpropanenitrile
CID 82300086
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839037
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-methylpropyl 4-[(1S)-1,2-diphenylethyl]piperazine-1-carboxylate
CID 143935537
tert-butyl 4-(1-oxo-3-phenylpropan-2-yl)piperazine-1-carboxylate
CID 58786686
2-amino-3-phenyl-1-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119899884

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid (CID 69174920) is 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid is C[C@H](C(O)Cc1ccccc1)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid?
The InChIKey is GNBAQNVCHPXDRB-PUODRLBUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(14(18)11-13-5-3-2-4-6-13)16-7-9-17(10-8-16)15(19)20/h2-6,12,14,18H,7-11H2,1H3,(H,19,20)/t12-,14?/m1/s1.
What are the key properties of 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid?
4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-hydroxy-4-phenylbutan-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 69174920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).