(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate

C15H29N3O2 — CID 162689657

IUPAC(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
SMILESCC(C)(CCC1CCNCC1)OC(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,6-3-13-4-7-16-8-5-13)20-14(19)18-11-9-17-10-12-18/h13,16-17H,3-12H2,1-2H3
InChIKeyMCGTVJPLCOEOGY-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.59
Rot. Bonds4

About (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate

(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate (PubChem CID 162689657) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
PubChem CID162689657
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
SMILESCC(C)(CCC1CCNCC1)OC(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,6-3-13-4-7-16-8-5-13)20-14(19)18-11-9-17-10-12-18/h13,16-17H,3-12H2,1-2H3
InChIKeyMCGTVJPLCOEOGY-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-hydroxy-4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 171485202
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
CID 168999917
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate?
The IUPAC name of (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate (CID 162689657) is (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate.
What is the SMILES notation for (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate?
The canonical SMILES for (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate is CC(C)(CCC1CCNCC1)OC(=O)N1CCNCC1.
What is the InChIKey of (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate?
The InChIKey is MCGTVJPLCOEOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,6-3-13-4-7-16-8-5-13)20-14(19)18-11-9-17-10-12-18/h13,16-17H,3-12H2,1-2H3.
What are the key properties of (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate?
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate is sourced from PubChem (CID 162689657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).