tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate

C16H25FN4O2 — CID 58386800

IUPACtert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CF)CN(c2ccncc2N)C1
InChIInChI=1S/C16H25FN4O2/c1-16(2,3)23-15(22)20-12-6-11(7-17)9-21(10-12)14-4-5-19-8-13(14)18/h4-5,8,11-12H,6-7,9-10,18H2,1-3H3,(H,20,22)
InChIKeyPUVQSWKHCZFHCS-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate (PubChem CID 58386800) has the molecular formula C16H25FN4O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate
PubChem CID58386800
Molecular FormulaC16H25FN4O2
Molecular Weight324.40 g/mol
Exact Mass324.20
IUPAC Nametert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CF)CN(c2ccncc2N)C1
InChIInChI=1S/C16H25FN4O2/c1-16(2,3)23-15(22)20-12-6-11(7-17)9-21(10-12)14-4-5-19-8-13(14)18/h4-5,8,11-12H,6-7,9-10,18H2,1-3H3,(H,20,22)
InChIKeyPUVQSWKHCZFHCS-UHFFFAOYSA-N
XLogP2.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Boc-amino)pyridine
CID 9990210
3-Amino-4-(Boc-amino)pyridine
CID 11095863
Tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 54580880
Methyl N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]carbamate
CID 3503413
methyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]carbamate
CID 4070060
3-(Boc-amino)pyridine
CID 10932321
tert-butyl N-(3-methylpyridin-4-yl)carbamate
CID 15273533
Tert-butyl 3-(pyridin-2-yl)piperazine-1-carboxylate
CID 72210356
Methyl N-{2-[4-(4-fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}carbamate
CID 3590288
N'-(6-fluoro-3-pyridinyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 155514979
N-(pyridin-4-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
CID 17600737
Tert-butyl 4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidine-1-carboxylate
CID 56658512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate (CID 58386800) is tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CC(CF)CN(c2ccncc2N)C1.
What is the InChIKey of tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate?
The InChIKey is PUVQSWKHCZFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O2/c1-16(2,3)23-15(22)20-12-6-11(7-17)9-21(10-12)14-4-5-19-8-13(14)18/h4-5,8,11-12H,6-7,9-10,18H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 58386800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).