(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate

C12H23N3O2 — CID 515588

IUPAC(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2CCCN(C)C2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-4-3-5-14(2)10-11/h11H,3-10H2,1-2H3
InChIKeySHSNZMROECWQCX-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.46
Rot. Bonds1

About (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate

(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate (PubChem CID 515588) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate
PubChem CID515588
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2CCCN(C)C2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-4-3-5-14(2)10-11/h11H,3-10H2,1-2H3
InChIKeySHSNZMROECWQCX-UHFFFAOYSA-N
XLogP0.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate?
The IUPAC name of (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate (CID 515588) is (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC2CCCN(C)C2)CC1.
What is the InChIKey of (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate?
The InChIKey is SHSNZMROECWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-6-8-15(9-7-13)12(16)17-11-4-3-5-14(2)10-11/h11H,3-10H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate?
(1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).