tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate

C18H32N4O2 — CID 114235518

IUPACtert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCc1nn(C)cc1CNC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C18H32N4O2/c1-13-14(11-21(7)20-13)10-19-15-8-9-22(12-18(15,5)6)16(23)24-17(2,3)4/h11,15,19H,8-10,12H2,1-7H3
InChIKeyUDRXTPHZAOQWKK-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 114235518) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate
PubChem CID114235518
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCc1nn(C)cc1CNC1CCN(C(=O)OC(C)(C)C)CC1(C)C
InChIInChI=1S/C18H32N4O2/c1-13-14(11-21(7)20-13)10-19-15-8-9-22(12-18(15,5)6)16(23)24-17(2,3)4/h11,15,19H,8-10,12H2,1-7H3
InChIKeyUDRXTPHZAOQWKK-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
tert-butyl 4-(benzylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 68939802
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103851501
tert-butyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 104954264
tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
tert-butyl 4-(2-chloro-6-methylanilino)-3,3-dimethylpiperidine-1-carboxylate
CID 114235474
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249547
tert-butyl (4R)-3,3-dimethyl-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carboxylate
CID 86707892
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
tert-butyl 3,3-dimethyl-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 114235526
tert-butyl 4-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)-3,3-dimethylpiperidine-1-carboxylate
CID 114235375

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate (CID 114235518) is tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate is Cc1nn(C)cc1CNC1CCN(C(=O)OC(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is UDRXTPHZAOQWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13-14(11-21(7)20-13)10-19-15-8-9-22(12-18(15,5)6)16(23)24-17(2,3)4/h11,15,19H,8-10,12H2,1-7H3.
What are the key properties of tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 114235518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).