butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate

C15H30N4O2 — CID 143410677

IUPACbutyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate
SMILESCCCCOC(=O)C1CN(C)CCN1C1CCN(N)CC1
InChIInChI=1S/C15H30N4O2/c1-3-4-11-21-15(20)14-12-17(2)9-10-19(14)13-5-7-18(16)8-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyTWRYFLZBWSWXPD-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.28
Rot. Bonds5

About butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate

butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate (PubChem CID 143410677) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namebutyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate
PubChem CID143410677
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Namebutyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate
SMILESCCCCOC(=O)C1CN(C)CCN1C1CCN(N)CC1
InChIInChI=1S/C15H30N4O2/c1-3-4-11-21-15(20)14-12-17(2)9-10-19(14)13-5-7-18(16)8-6-13/h13-14H,3-12,16H2,1-2H3
InChIKeyTWRYFLZBWSWXPD-UHFFFAOYSA-N
XLogP0.28
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate?
The IUPAC name of butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate (CID 143410677) is butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate.
What is the SMILES notation for butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate?
The canonical SMILES for butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate is CCCCOC(=O)C1CN(C)CCN1C1CCN(N)CC1.
What is the InChIKey of butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate?
The InChIKey is TWRYFLZBWSWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-3-4-11-21-15(20)14-12-17(2)9-10-19(14)13-5-7-18(16)8-6-13/h13-14H,3-12,16H2,1-2H3.
What are the key properties of butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate?
butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(1-aminopiperidin-4-yl)-4-methylpiperazine-2-carboxylate is sourced from PubChem (CID 143410677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).