1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane

C22H46N4O — CID 144607351

IUPAC1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane
SMILESCC.CCc1cn(C2CCN(C(C)(C)C)CC2)nc1OC.CNC(C)(C)C
InChIInChI=1S/C15H27N3O.C5H13N.C2H6/c1-6-12-11-18(16-14(12)19-5)13-7-9-17(10-8-13)15(2,3)4;1-5(2,3)6-4;1-2/h11,13H,6-10H2,1-5H3;6H,1-4H3;1-2H3
InChIKeyLUYXMITXWHPKQT-UHFFFAOYSA-N
MW382.64 g/mol
LogP4.92
Rot. Bonds3

About 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane

1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane (PubChem CID 144607351) has the molecular formula C22H46N4O and a molecular weight of 382.64 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane
PubChem CID144607351
Molecular FormulaC22H46N4O
Molecular Weight382.64 g/mol
Exact Mass382.37
IUPAC Name1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane
SMILESCC.CCc1cn(C2CCN(C(C)(C)C)CC2)nc1OC.CNC(C)(C)C
InChIInChI=1S/C15H27N3O.C5H13N.C2H6/c1-6-12-11-18(16-14(12)19-5)13-7-9-17(10-8-13)15(2,3)4;1-5(2,3)6-4;1-2/h11,13H,6-10H2,1-5H3;6H,1-4H3;1-2H3
InChIKeyLUYXMITXWHPKQT-UHFFFAOYSA-N
XLogP4.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-methoxy-4-methylpyrazole;ethane
CID 172605487
1-(1-tert-butylpiperidin-4-yl)-5-methoxypyrazol-4-amine
CID 90104387
2-methyl-N-[[3-methyl-1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-2-amine
CID 64774281
tert-butyl 4-(3-ethoxy-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 171524613
1-tert-butyl-4-(3-methyl-1,2,4-triazol-4-yl)piperidine
CID 118230663
1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
CID 171576643
tert-butyl-[4-(4-iodo-3-methoxypyrazol-1-yl)cyclohexyl]oxy-dimethylsilane
CID 67004680
1-[2-(1-tert-butylpiperidin-4-yl)indazol-5-yl]-1,3-diazinane-2,4-dione
CID 168870495
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
4-(3,4-dimethylpyrazol-1-yl)piperidine-1-carbaldehyde;ethane;N-methylcyclopropanamine
CID 145134343
tert-butyl 4-(4-bromo-3-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 163524055

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane?
The IUPAC name of 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane (CID 144607351) is 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane.
What is the SMILES notation for 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane?
The canonical SMILES for 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane is CC.CCc1cn(C2CCN(C(C)(C)C)CC2)nc1OC.CNC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane?
The InChIKey is LUYXMITXWHPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.C5H13N.C2H6/c1-6-12-11-18(16-14(12)19-5)13-7-9-17(10-8-13)15(2,3)4;1-5(2,3)6-4;1-2/h11,13H,6-10H2,1-5H3;6H,1-4H3;1-2H3.
What are the key properties of 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane?
1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane has a molecular weight of 382.64 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane is sourced from PubChem (CID 144607351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).