2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid

C11H22N2O2 — CID 22629585

IUPAC2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)CCC1CNCCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)5-4-9-8-12-6-7-13(9)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyNEVPLERTHRGVKV-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.76
Rot. Bonds2

About 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid

2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid (PubChem CID 22629585) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
PubChem CID22629585
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid
SMILESCC(C)(C)CCC1CNCCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-11(2,3)5-4-9-8-12-6-7-13(9)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyNEVPLERTHRGVKV-UHFFFAOYSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
(2S)-2-(trifluoromethoxymethyl)piperazine-1-carboxylic acid
CID 175159453
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-propylpiperazine-1-carboxylate;hydrochloride
CID 45073237
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 68606927
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
2-(9H-fluoren-9-ylmethyl)piperazine-1-carboxylic acid
CID 174210652

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid (CID 22629585) is 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid is CC(C)(C)CCC1CNCCN1C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid?
The InChIKey is NEVPLERTHRGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)5-4-9-8-12-6-7-13(9)10(14)15/h9,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid?
2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22629585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).