(2S)-2-benzylpiperazine-1-carboxylic acid

C12H16N2O2 — CID 141413078

IUPAC(2S)-2-benzylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-12(16)14-7-6-13-9-11(14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKeyHGTCDYOWUDCHFX-NSHDSACASA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds2

About (2S)-2-benzylpiperazine-1-carboxylic acid

(2S)-2-benzylpiperazine-1-carboxylic acid (PubChem CID 141413078) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-benzylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-benzylpiperazine-1-carboxylic acid
PubChem CID141413078
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-benzylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c15-12(16)14-7-6-13-9-11(14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1
InChIKeyHGTCDYOWUDCHFX-NSHDSACASA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 151542372
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
3-(2-benzylphenyl)-1-(2-benzylpiperazin-1-yl)propan-1-one
CID 68669114
(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 82247957
2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
CID 174210652
1-(2-benzylpiperazin-1-yl)-2-(2-phenoxyphenyl)ethanone
CID 68668878
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 25265689
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylpiperazine-1-carboxylic acid?
The IUPAC name of (2S)-2-benzylpiperazine-1-carboxylic acid (CID 141413078) is (2S)-2-benzylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-benzylpiperazine-1-carboxylic acid?
The canonical SMILES for (2S)-2-benzylpiperazine-1-carboxylic acid is O=C(O)N1CCNC[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S)-2-benzylpiperazine-1-carboxylic acid?
The InChIKey is HGTCDYOWUDCHFX-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)14-7-6-13-9-11(14)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-benzylpiperazine-1-carboxylic acid?
(2S)-2-benzylpiperazine-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylpiperazine-1-carboxylic acid is sourced from PubChem (CID 141413078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).