methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate

C13H25N3O2 — CID 115269382

IUPACmethyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2)10-11(4-5-14-13)15-6-8-16(9-7-15)12(17)18-3/h11,14H,4-10H2,1-3H3
InChIKeyFCWPWVTVUPGSCJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.90
Rot. Bonds1

About methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate

methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 115269382) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID115269382
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemethyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCNC(C)(C)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2)10-11(4-5-14-13)15-6-8-16(9-7-15)12(17)18-3/h11,14H,4-10H2,1-3H3
InChIKeyFCWPWVTVUPGSCJ-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate (CID 115269382) is methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate is COC(=O)N1CCN(C2CCNC(C)(C)C2)CC1.
What is the InChIKey of methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is FCWPWVTVUPGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2)10-11(4-5-14-13)15-6-8-16(9-7-15)12(17)18-3/h11,14H,4-10H2,1-3H3.
What are the key properties of methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate?
methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 115269382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).