butyl N-piperazin-1-ylcarbamate

C9H19N3O2 — CID 154398966

IUPACbutyl N-piperazin-1-ylcarbamate
SMILESCCCCOC(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-2-3-8-14-9(13)11-12-6-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyKRRWVKNOTHPNDK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.33
Rot. Bonds4

About butyl N-piperazin-1-ylcarbamate

butyl N-piperazin-1-ylcarbamate (PubChem CID 154398966) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl N-piperazin-1-ylcarbamate.

Molecular Properties

Compound Namebutyl N-piperazin-1-ylcarbamate
PubChem CID154398966
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namebutyl N-piperazin-1-ylcarbamate
SMILESCCCCOC(=O)NN1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-2-3-8-14-9(13)11-12-6-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13)
InChIKeyKRRWVKNOTHPNDK-UHFFFAOYSA-N
XLogP0.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-piperazin-1-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-piperazin-1-ylcarbamate
CID 13200156
butyl N-(4-pyrrolidin-3-ylpiperazin-1-yl)carbamate
CID 175834152
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
butyl 9-piperazin-1-ylnonanoate
CID 155795088
butyl (2R)-2-methylpiperazine-1-carboxylate
CID 70918230
butyl N-(6-azaspiro[2.5]octan-2-yl)carbamate
CID 139641646
butyl N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)carbamate
CID 175756110
butyl N-(piperidin-3-ylmethyl)carbamate
CID 154053920
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
pentyl 2-(1,4-diazepan-1-yl)acetate
CID 62823071
butoxycarbonylcarbamic acid
CID 22136826
butyl aziridine-1-carboxylate
CID 12641

Frequently Asked Questions

What is the IUPAC name of butyl N-piperazin-1-ylcarbamate?
The IUPAC name of butyl N-piperazin-1-ylcarbamate (CID 154398966) is butyl N-piperazin-1-ylcarbamate.
What is the SMILES notation for butyl N-piperazin-1-ylcarbamate?
The canonical SMILES for butyl N-piperazin-1-ylcarbamate is CCCCOC(=O)NN1CCNCC1.
What is the InChIKey of butyl N-piperazin-1-ylcarbamate?
The InChIKey is KRRWVKNOTHPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-3-8-14-9(13)11-12-6-4-10-5-7-12/h10H,2-8H2,1H3,(H,11,13).
What are the key properties of butyl N-piperazin-1-ylcarbamate?
butyl N-piperazin-1-ylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-piperazin-1-ylcarbamate is sourced from PubChem (CID 154398966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).