phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

C15H23N3O2 — CID 43252432

IUPACphenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(CN)CN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-13(11-16)12-17-7-9-18(10-8-17)15(19)20-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3
InChIKeyPUYHQMQMJMGXPS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.40
Rot. Bonds4

About phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate

phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (PubChem CID 43252432) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
PubChem CID43252432
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namephenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
SMILESCC(CN)CN1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H23N3O2/c1-13(11-16)12-17-7-9-18(10-8-17)15(19)20-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3
InChIKeyPUYHQMQMJMGXPS-UHFFFAOYSA-N
XLogP1.40
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The IUPAC name of phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate (CID 43252432) is phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is CC(CN)CN1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
The InChIKey is PUYHQMQMJMGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13(11-16)12-17-7-9-18(10-8-17)15(19)20-14-5-3-2-4-6-14/h2-6,13H,7-12,16H2,1H3.
What are the key properties of phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate?
phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate is sourced from PubChem (CID 43252432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).