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

C10H20N2O3 — CID 113073390

IUPACmethyl 4-(3-methoxypropyl)piperazine-1-carboxylate
SMILESCOCCCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H20N2O3/c1-14-9-3-4-11-5-7-12(8-6-11)10(13)15-2/h3-9H2,1-2H3
InChIKeyIRRLCOPJNNILIR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.41
Rot. Bonds4

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

methyl 4-(3-methoxypropyl)piperazine-1-carboxylate (PubChem CID 113073390) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 4-(3-methoxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxypropyl)piperazine-1-carboxylate
PubChem CID113073390
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-(3-methoxypropyl)piperazine-1-carboxylate
SMILESCOCCCN1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H20N2O3/c1-14-9-3-4-11-5-7-12(8-6-11)10(13)15-2/h3-9H2,1-2H3
InChIKeyIRRLCOPJNNILIR-UHFFFAOYSA-N
XLogP0.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 165146296
methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 3693552
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
[4-(3-methoxypropyl)piperazin-1-yl]-(1-propan-2-ylcyclopropyl)methanone
CID 156820201
[4-(3-methoxypropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113073396
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxypropyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(3-methoxypropyl)piperazine-1-carboxylate (CID 113073390) is methyl 4-(3-methoxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxypropyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(3-methoxypropyl)piperazine-1-carboxylate is COCCCN1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(3-methoxypropyl)piperazine-1-carboxylate?
The InChIKey is IRRLCOPJNNILIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-9-3-4-11-5-7-12(8-6-11)10(13)15-2/h3-9H2,1-2H3.
What are the key properties of methyl 4-(3-methoxypropyl)piperazine-1-carboxylate?
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 113073390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).