(2-tert-butylpiperazin-1-yl)carbamic acid

C9H19N3O2 — CID 158697541

IUPAC(2-tert-butylpiperazin-1-yl)carbamic acid
SMILESCC(C)(C)C1CNCCN1NC(=O)O
InChIInChI=1S/C9H19N3O2/c1-9(2,3)7-6-10-4-5-12(7)11-8(13)14/h7,10-11H,4-6H2,1-3H3,(H,13,14)
InChIKeyIHDGIGLBAGGCBP-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.49
Rot. Bonds1

About (2-tert-butylpiperazin-1-yl)carbamic acid

(2-tert-butylpiperazin-1-yl)carbamic acid (PubChem CID 158697541) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2-tert-butylpiperazin-1-yl)carbamic acid.

Molecular Properties

Compound Name(2-tert-butylpiperazin-1-yl)carbamic acid
PubChem CID158697541
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2-tert-butylpiperazin-1-yl)carbamic acid
SMILESCC(C)(C)C1CNCCN1NC(=O)O
InChIInChI=1S/C9H19N3O2/c1-9(2,3)7-6-10-4-5-12(7)11-8(13)14/h7,10-11H,4-6H2,1-3H3,(H,13,14)
InChIKeyIHDGIGLBAGGCBP-UHFFFAOYSA-N
XLogP0.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1,4-diazepane-1-carboxylic acid
CID 54024721
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
2-tert-butyl-1-prop-2-enylpiperazine
CID 64833964
1-(2-tert-butylpiperazin-1-yl)-4-(3H-1,2,4-triazol-5-yl)butan-1-one
CID 129255667
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2S)-N-tert-butyl-2-methylpiperazine-1-carboxamide
CID 82756446
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
2-hydroxy-1-[(2S)-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 175896251
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
(2R)-2-tert-butyl-1-ethyl-1,4-diazepane
CID 176994090

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpiperazin-1-yl)carbamic acid?
The IUPAC name of (2-tert-butylpiperazin-1-yl)carbamic acid (CID 158697541) is (2-tert-butylpiperazin-1-yl)carbamic acid.
What is the SMILES notation for (2-tert-butylpiperazin-1-yl)carbamic acid?
The canonical SMILES for (2-tert-butylpiperazin-1-yl)carbamic acid is CC(C)(C)C1CNCCN1NC(=O)O.
What is the InChIKey of (2-tert-butylpiperazin-1-yl)carbamic acid?
The InChIKey is IHDGIGLBAGGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)7-6-10-4-5-12(7)11-8(13)14/h7,10-11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of (2-tert-butylpiperazin-1-yl)carbamic acid?
(2-tert-butylpiperazin-1-yl)carbamic acid has a molecular weight of 201.27 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpiperazin-1-yl)carbamic acid is sourced from PubChem (CID 158697541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).