(2S)-2-phenyl-2-piperazin-1-ylacetic acid

C12H16N2O2 — CID 93409057

IUPAC(2S)-2-phenyl-2-piperazin-1-ylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKeyBGORWWYTHPSHCC-NSHDSACASA-N
MW220.27 g/mol
LogP0.72
Rot. Bonds3

About (2S)-2-phenyl-2-piperazin-1-ylacetic acid

(2S)-2-phenyl-2-piperazin-1-ylacetic acid (PubChem CID 93409057) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-phenyl-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-piperazin-1-ylacetic acid
PubChem CID93409057
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-phenyl-2-piperazin-1-ylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H16N2O2/c15-12(16)11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKeyBGORWWYTHPSHCC-NSHDSACASA-N
XLogP0.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
2-(1,4-diazepan-1-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54890579
2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
CID 79984509
2-(furan-2-yl)-2-piperazin-1-ylacetic acid
CID 82077936
2-piperazin-1-yl-2-(3,4,5-trifluorophenyl)acetic acid
CID 55148515
2-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-piperazin-1-ylacetic acid?
The IUPAC name of (2S)-2-phenyl-2-piperazin-1-ylacetic acid (CID 93409057) is (2S)-2-phenyl-2-piperazin-1-ylacetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-piperazin-1-ylacetic acid?
The canonical SMILES for (2S)-2-phenyl-2-piperazin-1-ylacetic acid is O=C(O)[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of (2S)-2-phenyl-2-piperazin-1-ylacetic acid?
The InChIKey is BGORWWYTHPSHCC-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)11(10-4-2-1-3-5-10)14-8-6-13-7-9-14/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-piperazin-1-ylacetic acid?
(2S)-2-phenyl-2-piperazin-1-ylacetic acid has a molecular weight of 220.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 93409057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).