pentyl piperazine-1-carboxylate

C10H20N2O2 — CID 45140356

IUPACpentyl piperazine-1-carboxylate
SMILESCCCCCOC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-9-14-10(13)12-7-5-11-6-8-12/h11H,2-9H2,1H3
InChIKeyBVLHNYHIALZNRG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.22
Rot. Bonds4

About pentyl piperazine-1-carboxylate

pentyl piperazine-1-carboxylate (PubChem CID 45140356) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is pentyl piperazine-1-carboxylate.

Molecular Properties

Compound Namepentyl piperazine-1-carboxylate
PubChem CID45140356
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepentyl piperazine-1-carboxylate
SMILESCCCCCOC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-9-14-10(13)12-7-5-11-6-8-12/h11H,2-9H2,1H3
InChIKeyBVLHNYHIALZNRG-UHFFFAOYSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of pentyl piperazine-1-carboxylate?
The IUPAC name of pentyl piperazine-1-carboxylate (CID 45140356) is pentyl piperazine-1-carboxylate.
What is the SMILES notation for pentyl piperazine-1-carboxylate?
The canonical SMILES for pentyl piperazine-1-carboxylate is CCCCCOC(=O)N1CCNCC1.
What is the InChIKey of pentyl piperazine-1-carboxylate?
The InChIKey is BVLHNYHIALZNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-9-14-10(13)12-7-5-11-6-8-12/h11H,2-9H2,1H3.
What are the key properties of pentyl piperazine-1-carboxylate?
pentyl piperazine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl piperazine-1-carboxylate is sourced from PubChem (CID 45140356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).