tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane

C16H28N4O2 — CID 160643676

IUPACtert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
SMILESC.C[C@@H]1CN(c2ccncc2N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2.CH4/c1-11-10-18(13-5-6-17-9-12(13)16)7-8-19(11)14(20)21-15(2,3)4;/h5-6,9,11H,7-8,10,16H2,1-4H3;1H4/t11-;/m1./s1
InChIKeyRJMWXAZHDDPPRV-RFVHGSKJSA-N
MW308.43 g/mol
LogP2.75
Rot. Bonds1

About tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane

tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane (PubChem CID 160643676) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane.

Molecular Properties

Compound Nametert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
PubChem CID160643676
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane
SMILESC.C[C@@H]1CN(c2ccncc2N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N4O2.CH4/c1-11-10-18(13-5-6-17-9-12(13)16)7-8-19(11)14(20)21-15(2,3)4;/h5-6,9,11H,7-8,10,16H2,1-4H3;1H4/t11-;/m1./s1
InChIKeyRJMWXAZHDDPPRV-RFVHGSKJSA-N
XLogP2.75
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 67371513
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl (2S)-4-(2-chloro-3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 131996968
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
tert-butyl (2S)-4-[3-[(2-bromo-1,3-thiazole-4-carbonyl)amino]-4-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 59332261
tert-butyl N-[1-(3-amino-4-pyridinyl)-4,4-difluoropiperidin-3-yl]carbamate
CID 77419826
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl 4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylpiperazine-1-carboxylate
CID 177040055
tert-butyl 4-(2,4-dichloropyrimidin-5-yl)-2-methylpiperazine-1-carboxylate
CID 118485094
tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
CID 156557842
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
tert-butyl 2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 89484186

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane?
The IUPAC name of tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane (CID 160643676) is tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane.
What is the SMILES notation for tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane?
The canonical SMILES for tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane is C.C[C@@H]1CN(c2ccncc2N)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane?
The InChIKey is RJMWXAZHDDPPRV-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H24N4O2.CH4/c1-11-10-18(13-5-6-17-9-12(13)16)7-8-19(11)14(20)21-15(2,3)4;/h5-6,9,11H,7-8,10,16H2,1-4H3;1H4/t11-;/m1./s1.
What are the key properties of tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane?
tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane has a molecular weight of 308.43 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-(3-amino-4-pyridinyl)-2-methylpiperazine-1-carboxylate;methane is sourced from PubChem (CID 160643676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).