1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate

C14H27N3O2 — CID 515583

IUPAC1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-13(12-16-6-4-3-5-7-16)19-14(18)17-10-8-15(2)9-11-17/h13H,3-12H2,1-2H3
InChIKeyGMCDORAHGLXLSW-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.24
Rot. Bonds3

About 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate

1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 515583) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate
PubChem CID515583
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate
SMILESCC(CN1CCCCC1)OC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-13(12-16-6-4-3-5-7-16)19-14(18)17-10-8-15(2)9-11-17/h13H,3-12H2,1-2H3
InChIKeyGMCDORAHGLXLSW-UHFFFAOYSA-N
XLogP1.24
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate (CID 515583) is 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate is CC(CN1CCCCC1)OC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate?
The InChIKey is GMCDORAHGLXLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-13(12-16-6-4-3-5-7-16)19-14(18)17-10-8-15(2)9-11-17/h13H,3-12H2,1-2H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate?
1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).