phenyl 4-(4-aminobutyl)piperazine-1-carboxylate

C15H23N3O2 — CID 43252406

IUPACphenyl 4-(4-aminobutyl)piperazine-1-carboxylate
SMILESNCCCCN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-4-5-9-17-10-12-18(13-11-17)15(19)20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,16H2
InChIKeyCQSUJCRCVYNUDY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.54
Rot. Bonds5

About phenyl 4-(4-aminobutyl)piperazine-1-carboxylate

phenyl 4-(4-aminobutyl)piperazine-1-carboxylate (PubChem CID 43252406) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is phenyl 4-(4-aminobutyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(4-aminobutyl)piperazine-1-carboxylate
PubChem CID43252406
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namephenyl 4-(4-aminobutyl)piperazine-1-carboxylate
SMILESNCCCCN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c16-8-4-5-9-17-10-12-18(13-11-17)15(19)20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,16H2
InChIKeyCQSUJCRCVYNUDY-UHFFFAOYSA-N
XLogP1.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl 4-(4-aminobutyl)piperazine-1-carboxylate 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

phenyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252389
phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252432
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-(2-hydroxybenzoyl)piperazine-1-carboxylate
CID 108568141
phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110395770
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(4-aminobutyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(4-aminobutyl)piperazine-1-carboxylate (CID 43252406) is phenyl 4-(4-aminobutyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(4-aminobutyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(4-aminobutyl)piperazine-1-carboxylate is NCCCCN1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(4-aminobutyl)piperazine-1-carboxylate?
The InChIKey is CQSUJCRCVYNUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-8-4-5-9-17-10-12-18(13-11-17)15(19)20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,16H2.
What are the key properties of phenyl 4-(4-aminobutyl)piperazine-1-carboxylate?
phenyl 4-(4-aminobutyl)piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(4-aminobutyl)piperazine-1-carboxylate is sourced from PubChem (CID 43252406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).