tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate

C18H32N4O2 — CID 75512015

IUPACtert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1nn(C)c(C)c1NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N4O2/c1-12(19-16-13(2)20-21(7)14(16)3)15-9-8-10-22(11-15)17(23)24-18(4,5)6/h12,15,19H,8-11H2,1-7H3
InChIKeyHXRVBKZYCZATCB-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 75512015) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
PubChem CID75512015
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nametert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
SMILESCc1nn(C)c(C)c1NC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N4O2/c1-12(19-16-13(2)20-21(7)14(16)3)15-9-8-10-22(11-15)17(23)24-18(4,5)6/h12,15,19H,8-11H2,1-7H3
InChIKeyHXRVBKZYCZATCB-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate (CID 75512015) is tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate is Cc1nn(C)c(C)c1NC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is HXRVBKZYCZATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-12(19-16-13(2)20-21(7)14(16)3)15-9-8-10-22(11-15)17(23)24-18(4,5)6/h12,15,19H,8-11H2,1-7H3.
What are the key properties of tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 75512015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).