(1-methylpiperidin-4-yl) piperazine-1-carboxylate

C11H21N3O2 — CID 127541235

IUPAC(1-methylpiperidin-4-yl) piperazine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H21N3O2/c1-13-6-2-10(3-7-13)16-11(15)14-8-4-12-5-9-14/h10,12H,2-9H2,1H3
InChIKeyRNXICIZRVCLWQV-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.12
Rot. Bonds1

About (1-methylpiperidin-4-yl) piperazine-1-carboxylate

(1-methylpiperidin-4-yl) piperazine-1-carboxylate (PubChem CID 127541235) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) piperazine-1-carboxylate
PubChem CID127541235
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(1-methylpiperidin-4-yl) piperazine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H21N3O2/c1-13-6-2-10(3-7-13)16-11(15)14-8-4-12-5-9-14/h10,12H,2-9H2,1H3
InChIKeyRNXICIZRVCLWQV-UHFFFAOYSA-N
XLogP0.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) piperazine-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) piperazine-1-carboxylate (CID 127541235) is (1-methylpiperidin-4-yl) piperazine-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) piperazine-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) piperazine-1-carboxylate is CN1CCC(OC(=O)N2CCNCC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) piperazine-1-carboxylate?
The InChIKey is RNXICIZRVCLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-6-2-10(3-7-13)16-11(15)14-8-4-12-5-9-14/h10,12H,2-9H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) piperazine-1-carboxylate?
(1-methylpiperidin-4-yl) piperazine-1-carboxylate has a molecular weight of 227.31 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) piperazine-1-carboxylate is sourced from PubChem (CID 127541235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).