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

C12H23N3O2 — CID 515589

IUPAC(1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-11(4-6-13)17-12(16)15-9-7-14(2)8-10-15/h11H,3-10H2,1-2H3
InChIKeyIIJCHDQGUXPCRZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.46
Rot. Bonds1

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

(1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate (PubChem CID 515589) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate
PubChem CID515589
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-11(4-6-13)17-12(16)15-9-7-14(2)8-10-15/h11H,3-10H2,1-2H3
InChIKeyIIJCHDQGUXPCRZ-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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Related Compounds

1-Piperazinecarboxylic acid, 4-(2-(carboxypentylamino)ethyl)-, diisopropyl ester, hydrochloride
CID 212434
Cambridge id 5453405
CID 783862
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
2-(1-Piperidyl)ethyl 4-methylpiperazine-1-carboxylate
CID 515566
[1-Methyl-2-(1-piperidyl)ethyl] 4-methylpiperazine-1-carboxylate
CID 515583
[4-(Diethylamino)-1-methyl-butyl] 4-methylpiperazine-1-carboxylate
CID 515584
(1-Methyl-3-piperidyl) 4-methylpiperazine-1-carboxylate
CID 515588
Cambridge id 5465194
CID 784581
1-Piperidinecarboxylic acid-1-methylpropylester
CID 127537407
2-(4-Methoxypiperidin-1-yl)-1-piperidin-1-ylethanone
CID 53524569
Propan-2-yl 4-[2-[pentyl(propan-2-yloxycarbonyl)amino]ethyl]piperazine-1-carboxylate
CID 212435
(1-Methoxycarbonylpiperidin-4-yl) 4-formyl-3-(trifluoromethyl)piperazine-1-carboxylate
CID 144814130

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate (CID 515589) is (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate is CN1CCC(OC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate?
The InChIKey is IIJCHDQGUXPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-5-3-11(4-6-13)17-12(16)15-9-7-14(2)8-10-15/h11H,3-10H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 4-methylpiperazine-1-carboxylate?
(1-methylpiperidin-4-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-4-yl) 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).