(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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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).