tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate

C15H27FN2O2 — CID 115052346

IUPACtert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CNCCC2F)C1
InChIInChI=1S/C15H27FN2O2/c1-15(2,3)20-14(19)18-8-4-5-11(10-18)12-9-17-7-6-13(12)16/h11-13,17H,4-10H2,1-3H3
InChIKeyXOUYRXJCJIQPNB-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.58
Rot. Bonds1

About tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate (PubChem CID 115052346) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate
PubChem CID115052346
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Nametert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2CNCCC2F)C1
InChIInChI=1S/C15H27FN2O2/c1-15(2,3)20-14(19)18-8-4-5-11(10-18)12-9-17-7-6-13(12)16/h11-13,17H,4-10H2,1-3H3
InChIKeyXOUYRXJCJIQPNB-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3S)-3-(2-aminoethyl)piperidine-1-carboxylate
CID 1514256
Tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate
CID 5001227
4,4'-Bipiperidine, 1-boc protected
CID 11747599
Tert-butyl 4-[3-(methylamino)propyl]piperidine-1-carboxylate
CID 18374734
Tert-butyl 4-(4-aminobutyl)piperidine-1-carboxylate
CID 18425747
Tert-butyl (4,4'-bipiperidine)-1-carboxylate hydrochloride
CID 19349778
Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
Tert-butyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 22321697
tert-Butyl 4-(3-aminopropyl)piperidine-1-carboxylate
CID 22990164
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 23435803
tert-Butyl 1,8-diazaspiro[5.5]undecane-1-carboxylate
CID 24740465
Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate hydrochloride
CID 25212672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate (CID 115052346) is tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2CNCCC2F)C1.
What is the InChIKey of tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate?
The InChIKey is XOUYRXJCJIQPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-15(2,3)20-14(19)18-8-4-5-11(10-18)12-9-17-7-6-13(12)16/h11-13,17H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate has a molecular weight of 286.39 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-fluoropiperidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 115052346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).