butyl 3-phenylpiperazine-1-carboxylate

C15H22N2O2 — CID 82246377

IUPACbutyl 3-phenylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-19-15(18)17-10-9-16-14(12-17)13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-12H2,1H3
InChIKeyASFPXNQPUXCPBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds4

About butyl 3-phenylpiperazine-1-carboxylate

butyl 3-phenylpiperazine-1-carboxylate (PubChem CID 82246377) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is butyl 3-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebutyl 3-phenylpiperazine-1-carboxylate
PubChem CID82246377
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebutyl 3-phenylpiperazine-1-carboxylate
SMILESCCCCOC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-3-11-19-15(18)17-10-9-16-14(12-17)13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-12H2,1H3
InChIKeyASFPXNQPUXCPBO-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
ethyl 3-thiophen-2-ylpiperazine-1-carboxylate
CID 2771741
2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480763
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873

Frequently Asked Questions

What is the IUPAC name of butyl 3-phenylpiperazine-1-carboxylate?
The IUPAC name of butyl 3-phenylpiperazine-1-carboxylate (CID 82246377) is butyl 3-phenylpiperazine-1-carboxylate.
What is the SMILES notation for butyl 3-phenylpiperazine-1-carboxylate?
The canonical SMILES for butyl 3-phenylpiperazine-1-carboxylate is CCCCOC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of butyl 3-phenylpiperazine-1-carboxylate?
The InChIKey is ASFPXNQPUXCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-11-19-15(18)17-10-9-16-14(12-17)13-7-5-4-6-8-13/h4-8,14,16H,2-3,9-12H2,1H3.
What are the key properties of butyl 3-phenylpiperazine-1-carboxylate?
butyl 3-phenylpiperazine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 82246377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).