tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate

C15H20ClFN2O2 — CID 71014147

IUPACtert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H20ClFN2O2/c1-14(2,3)21-13(20)19-8-5-15(17,6-9-19)12-10-11(16)4-7-18-12/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyOPOBRPFTRMNUBW-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.93
Rot. Bonds1

About tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate

tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate (PubChem CID 71014147) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate
PubChem CID71014147
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Nametert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H20ClFN2O2/c1-14(2,3)21-13(20)19-8-5-15(17,6-9-19)12-10-11(16)4-7-18-12/h4,7,10H,5-6,8-9H2,1-3H3
InChIKeyOPOBRPFTRMNUBW-UHFFFAOYSA-N
XLogP3.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate (CID 71014147) is tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2cc(Cl)ccn2)CC1.
What is the InChIKey of tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate?
The InChIKey is OPOBRPFTRMNUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-14(2,3)21-13(20)19-8-5-15(17,6-9-19)12-10-11(16)4-7-18-12/h4,7,10H,5-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate has a molecular weight of 314.79 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chloro-2-pyridinyl)-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 71014147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).