methyl 4-(3-methyloctyl)piperazine-1-carboxylate

C15H30N2O2 — CID 170108011

IUPACmethyl 4-(3-methyloctyl)piperazine-1-carboxylate
SMILESCCCCCC(C)CCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-14(2)8-9-16-10-12-17(13-11-16)15(18)19-3/h14H,4-13H2,1-3H3
InChIKeyFPLZYCINWOICIK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.98
Rot. Bonds7

About methyl 4-(3-methyloctyl)piperazine-1-carboxylate

methyl 4-(3-methyloctyl)piperazine-1-carboxylate (PubChem CID 170108011) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-(3-methyloctyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyloctyl)piperazine-1-carboxylate
PubChem CID170108011
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-(3-methyloctyl)piperazine-1-carboxylate
SMILESCCCCCC(C)CCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C15H30N2O2/c1-4-5-6-7-14(2)8-9-16-10-12-17(13-11-16)15(18)19-3/h14H,4-13H2,1-3H3
InChIKeyFPLZYCINWOICIK-UHFFFAOYSA-N
XLogP2.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-(3-methyloctyl)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

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyloctyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methyloctyl)piperazine-1-carboxylate (CID 170108011) is methyl 4-(3-methyloctyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methyloctyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methyloctyl)piperazine-1-carboxylate is CCCCCC(C)CCN1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(3-methyloctyl)piperazine-1-carboxylate?
The InChIKey is FPLZYCINWOICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-7-14(2)8-9-16-10-12-17(13-11-16)15(18)19-3/h14H,4-13H2,1-3H3.
What are the key properties of methyl 4-(3-methyloctyl)piperazine-1-carboxylate?
methyl 4-(3-methyloctyl)piperazine-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyloctyl)piperazine-1-carboxylate is sourced from PubChem (CID 170108011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).