tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate

C18H32N4O2 — CID 126818100

IUPACtert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O2/c1-14-9-15(7-8-22(14)17(23)24-18(2,3)4)11-20(5)12-16-10-19-21(6)13-16/h10,13-15H,7-9,11-12H2,1-6H3
InChIKeyAAFVQTOPNFNEFD-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.89
Rot. Bonds4

About tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 126818100) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
PubChem CID126818100
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
SMILESCC1CC(CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N4O2/c1-14-9-15(7-8-22(14)17(23)24-18(2,3)4)11-20(5)12-16-10-19-21(6)13-16/h10,13-15H,7-9,11-12H2,1-6H3
InChIKeyAAFVQTOPNFNEFD-UHFFFAOYSA-N
XLogP2.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate (CID 126818100) is tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate is CC1CC(CN(C)Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is AAFVQTOPNFNEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14-9-15(7-8-22(14)17(23)24-18(2,3)4)11-20(5)12-16-10-19-21(6)13-16/h10,13-15H,7-9,11-12H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 126818100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).