2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid

C16H24N2O2 — CID 175473745

IUPAC2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)N1CCN(c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-4-16(3,15(19)20)17-10-11-18(13(2)12-17)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyIYNJLZGDFXDABN-JBZHPUCOSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid

2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid (PubChem CID 175473745) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
PubChem CID175473745
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)N1CCN(c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-4-16(3,15(19)20)17-10-11-18(13(2)12-17)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyIYNJLZGDFXDABN-JBZHPUCOSA-N
XLogP2.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

GI 90291
CID 131560
N-phenylvaline
CID 10867191
methyl 1-(4-methoxy-4-oxobutyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873781
methyl 1-(2-methoxy-2-oxoethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873779
1-Piperazineacetic acid, 4-phenyl-, ethyl ester
CID 3044259
N-Methyl-N-phenyl-glycine
CID 420843
4-Amino-1-phenylpiperidine-4-carboxylic acid
CID 22145262
3-(4-Phenylpiperazin-1-yl)oxolan-2-one
CID 10263951
N-(4-phenylpiperazine-1-carbonyl)-L-leucine
CID 664093
1-(Tert-butoxycarbonyl)-4-(4-fluorophenyl)piperazine-2-carboxylic acid
CID 66509358
2-(4-Phenylpiperazin-1-yl)acetic acid
CID 600223
1-Phenylpiperidine-4-carboxylic acid
CID 3023990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid?
The IUPAC name of 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid (CID 175473745) is 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid is CCC(C)(C(=O)O)N1CCN(c2ccccc2)[C@H](C)C1.
What is the InChIKey of 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid?
The InChIKey is IYNJLZGDFXDABN-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-16(3,15(19)20)17-10-11-18(13(2)12-17)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,19,20)/t13-,16?/m1/s1.
What are the key properties of 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid?
2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid is sourced from PubChem (CID 175473745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).