methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate

C12H23N3O2 — CID 22745313

IUPACmethyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC(N)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)15-8-4-11(5-9-15)14-6-2-10(13)3-7-14/h10-11H,2-9,13H2,1H3
InChIKeyUGWMQELBYXZDDE-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.64
Rot. Bonds1

About methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate

methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 22745313) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID22745313
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Namemethyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCC(N)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)15-8-4-11(5-9-15)14-6-2-10(13)3-7-14/h10-11H,2-9,13H2,1H3
InChIKeyUGWMQELBYXZDDE-UHFFFAOYSA-N
XLogP0.64
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate (CID 22745313) is methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate is COC(=O)N1CCC(N2CCC(N)CC2)CC1.
What is the InChIKey of methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is UGWMQELBYXZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-12(16)15-8-4-11(5-9-15)14-6-2-10(13)3-7-14/h10-11H,2-9,13H2,1H3.
What are the key properties of methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate?
methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22745313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).