[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate

C20H25N3O2 — CID 69017224

IUPAC[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2ccccc2)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-20(2,25-19(24)23-13-11-21-12-14-23)15-17-9-6-10-18(22-17)16-7-4-3-5-8-16/h3-10,21H,11-15H2,1-2H3
InChIKeyAZZACALTSAVXHY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.11
Rot. Bonds4

About [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate

[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate (PubChem CID 69017224) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate
PubChem CID69017224
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2ccccc2)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-20(2,25-19(24)23-13-11-21-12-14-23)15-17-9-6-10-18(22-17)16-7-4-3-5-8-16/h3-10,21H,11-15H2,1-2H3
InChIKeyAZZACALTSAVXHY-UHFFFAOYSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-2-methylbutan-2-yl) piperazine-1-carboxylate
CID 70917063
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657
[1-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
CID 68745558
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-phenyl-1,2-oxazole-3-carbaldehyde
CID 161386407
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
(1-amino-2-methylpropan-2-yl) 1,4-diazepane-1-carboxylate
CID 154966126
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate?
The IUPAC name of [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate (CID 69017224) is [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate.
What is the SMILES notation for [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate?
The canonical SMILES for [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate is CC(C)(Cc1cccc(-c2ccccc2)n1)OC(=O)N1CCNCC1.
What is the InChIKey of [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate?
The InChIKey is AZZACALTSAVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,25-19(24)23-13-11-21-12-14-23)15-17-9-6-10-18(22-17)16-7-4-3-5-8-16/h3-10,21H,11-15H2,1-2H3.
What are the key properties of [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate?
[2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(6-phenyl-2-pyridinyl)propan-2-yl] piperazine-1-carboxylate is sourced from PubChem (CID 69017224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).