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

C18H32N4O2 — CID 86789124

IUPACtert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1
InChIInChI=1S/C18H32N4O2/c1-14(15-11-20-21(6)12-15)19-13-18(5)7-9-22(10-8-18)16(23)24-17(2,3)4/h11-12,14,19H,7-10,13H2,1-6H3
InChIKeyNRBBGKNDOWVUEZ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.11
Rot. Bonds4

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

tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate (PubChem CID 86789124) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
PubChem CID86789124
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
SMILESCC(NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1
InChIInChI=1S/C18H32N4O2/c1-14(15-11-20-21(6)12-15)19-13-18(5)7-9-22(10-8-18)16(23)24-17(2,3)4/h11-12,14,19H,7-10,13H2,1-6H3
InChIKeyNRBBGKNDOWVUEZ-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 103903333
tert-butyl 4-methyl-4-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104537826
tert-butyl 4-methyl-4-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 104537832
tert-butyl 3-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 134364509
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
tert-butyl 3-[(1S)-1-[[(1S)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]azetidine-1-carboxylate
CID 100620224
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxylate
CID 54595637
tert-butyl 4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 104537831
tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate (CID 86789124) is tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate is CC(NCC1(C)CCN(C(=O)OC(C)(C)C)CC1)c1cnn(C)c1.
What is the InChIKey of tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate?
The InChIKey is NRBBGKNDOWVUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(15-11-20-21(6)12-15)19-13-18(5)7-9-22(10-8-18)16(23)24-17(2,3)4/h11-12,14,19H,7-10,13H2,1-6H3.
What are the key properties of tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86789124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).