tert-butyl N-(4-piperazin-1-ylbutyl)carbamate

C13H27N3O2 — CID 4134691

IUPACtert-butyl N-(4-piperazin-1-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCN1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-6-4-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyMGUWFJKBUTXYBW-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.20
Rot. Bonds5

About tert-butyl N-(4-piperazin-1-ylbutyl)carbamate

tert-butyl N-(4-piperazin-1-ylbutyl)carbamate (PubChem CID 4134691) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl N-(4-piperazin-1-ylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-piperazin-1-ylbutyl)carbamate
PubChem CID4134691
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl N-(4-piperazin-1-ylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCN1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-6-4-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyMGUWFJKBUTXYBW-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
tert-butyl N-[2-[[N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884477
tert-butyl 2-amino-5-piperazin-1-ylpentanoate
CID 57355020
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-[3-[[N'-methyl-N-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
CID 111886797
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-piperazin-1-ylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-piperazin-1-ylbutyl)carbamate (CID 4134691) is tert-butyl N-(4-piperazin-1-ylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-piperazin-1-ylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-piperazin-1-ylbutyl)carbamate is CC(C)(C)OC(=O)NCCCCN1CCNCC1.
What is the InChIKey of tert-butyl N-(4-piperazin-1-ylbutyl)carbamate?
The InChIKey is MGUWFJKBUTXYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)15-6-4-5-9-16-10-7-14-8-11-16/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(4-piperazin-1-ylbutyl)carbamate?
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate has a molecular weight of 257.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-piperazin-1-ylbutyl)carbamate is sourced from PubChem (CID 4134691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).