N-tert-butyl-N-piperazin-1-ylcarbamate

C9H18N3O2- — CID 18449257

IUPACN-tert-butyl-N-piperazin-1-ylcarbamate
SMILESCC(C)(C)N(C(=O)[O-])N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)12(8(13)14)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3,(H,13,14)/p-1
InChIKeyAQHDKGSGDLGRES-UHFFFAOYSA-M
MW200.26 g/mol
LogP-0.75
Rot. Bonds1

About N-tert-butyl-N-piperazin-1-ylcarbamate

N-tert-butyl-N-piperazin-1-ylcarbamate (PubChem CID 18449257) has the molecular formula C9H18N3O2- and a molecular weight of 200.26 g/mol. Its IUPAC name is N-tert-butyl-N-piperazin-1-ylcarbamate.

Molecular Properties

Compound NameN-tert-butyl-N-piperazin-1-ylcarbamate
PubChem CID18449257
Molecular FormulaC9H18N3O2-
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC NameN-tert-butyl-N-piperazin-1-ylcarbamate
SMILESCC(C)(C)N(C(=O)[O-])N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-9(2,3)12(8(13)14)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3,(H,13,14)/p-1
InChIKeyAQHDKGSGDLGRES-UHFFFAOYSA-M
XLogP-0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
CID 57366155
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548772
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
CID 175810049
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
CID 97170402
2-methyl-2-piperazin-1-ylsulfonylpropanal
CID 115032123
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-piperazin-1-ylcarbamate?
The IUPAC name of N-tert-butyl-N-piperazin-1-ylcarbamate (CID 18449257) is N-tert-butyl-N-piperazin-1-ylcarbamate.
What is the SMILES notation for N-tert-butyl-N-piperazin-1-ylcarbamate?
The canonical SMILES for N-tert-butyl-N-piperazin-1-ylcarbamate is CC(C)(C)N(C(=O)[O-])N1CCNCC1.
What is the InChIKey of N-tert-butyl-N-piperazin-1-ylcarbamate?
The InChIKey is AQHDKGSGDLGRES-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19N3O2/c1-9(2,3)12(8(13)14)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3,(H,13,14)/p-1.
What are the key properties of N-tert-butyl-N-piperazin-1-ylcarbamate?
N-tert-butyl-N-piperazin-1-ylcarbamate has a molecular weight of 200.26 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-piperazin-1-ylcarbamate is sourced from PubChem (CID 18449257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).