tert-butyl(2-piperazin-1-ylethyl)carbamic acid

C11H23N3O2 — CID 53422675

IUPACtert-butyl(2-piperazin-1-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCN1CCNCC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)14(10(15)16)9-8-13-6-4-12-5-7-13/h12H,4-9H2,1-3H3,(H,15,16)
InChIKeyAGJFODADXDAETA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.67
Rot. Bonds3

About tert-butyl(2-piperazin-1-ylethyl)carbamic acid

tert-butyl(2-piperazin-1-ylethyl)carbamic acid (PubChem CID 53422675) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl(2-piperazin-1-ylethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(2-piperazin-1-ylethyl)carbamic acid
PubChem CID53422675
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nametert-butyl(2-piperazin-1-ylethyl)carbamic acid
SMILESCC(C)(C)N(CCN1CCNCC1)C(=O)O
InChIInChI=1S/C11H23N3O2/c1-11(2,3)14(10(15)16)9-8-13-6-4-12-5-7-13/h12H,4-9H2,1-3H3,(H,15,16)
InChIKeyAGJFODADXDAETA-UHFFFAOYSA-N
XLogP0.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl piperazine carboxylic acid
CID 17845741
2-Ethylpiperazine-1-carboxylic acid
CID 22220032
tert-butyl-[(3S,4S)-4-fluoropiperidin-3-yl]carbamic acid
CID 67045320
Tert-butyl-(4-fluoropiperidin-3-yl)carbamic acid
CID 67045321
tert-butyl-[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
CID 67045322
Tert-butyl-[2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
CID 87189265
(3S,4R)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
CID 155125052
(3S,4S)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
CID 155125053
(3R,4R)-3-(tert-butylamino)-4-fluoropiperidine-1-carboxylic acid
CID 156184326
(3R,5R)-3-(tert-butylamino)-5-fluoropiperidine-1-carboxylic acid
CID 156905243
tert-butyl-[(3S,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 71651184
tert-butyl-[(3R,5R)-5-fluoropiperidin-3-yl]carbamic acid
CID 175831748

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-piperazin-1-ylethyl)carbamic acid?
The IUPAC name of tert-butyl(2-piperazin-1-ylethyl)carbamic acid (CID 53422675) is tert-butyl(2-piperazin-1-ylethyl)carbamic acid.
What is the SMILES notation for tert-butyl(2-piperazin-1-ylethyl)carbamic acid?
The canonical SMILES for tert-butyl(2-piperazin-1-ylethyl)carbamic acid is CC(C)(C)N(CCN1CCNCC1)C(=O)O.
What is the InChIKey of tert-butyl(2-piperazin-1-ylethyl)carbamic acid?
The InChIKey is AGJFODADXDAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)14(10(15)16)9-8-13-6-4-12-5-7-13/h12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl(2-piperazin-1-ylethyl)carbamic acid?
tert-butyl(2-piperazin-1-ylethyl)carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-piperazin-1-ylethyl)carbamic acid is sourced from PubChem (CID 53422675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).