tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate

C14H27FN2O2 — CID 115050841

IUPACtert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CF)CCN)CC1
InChIInChI=1S/C14H27FN2O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12(10-15)4-7-16/h11-12H,4-10,16H2,1-3H3
InChIKeyFOKNIOYSADUOGW-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate (PubChem CID 115050841) has the molecular formula C14H27FN2O2 and a molecular weight of 274.38 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate
PubChem CID115050841
Molecular FormulaC14H27FN2O2
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Nametert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(CF)CCN)CC1
InChIInChI=1S/C14H27FN2O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12(10-15)4-7-16/h11-12H,4-10,16H2,1-3H3
InChIKeyFOKNIOYSADUOGW-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 3-(3-amino-1-fluoropropyl)azetidine-1-carboxylate
CID 105491312
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 4-[(1R)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731662
tert-butyl 4-[(1S)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731661
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-(2-amino-1-pyrrolidin-1-ylethyl)piperidine-1-carboxylate
CID 84815847
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170993452
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 3-(1-amino-2,2,2-trifluoroethyl)pyrrolidine-1-carboxylate
CID 82379516

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate (CID 115050841) is tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(CF)CCN)CC1.
What is the InChIKey of tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate?
The InChIKey is FOKNIOYSADUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O2/c1-14(2,3)19-13(18)17-8-5-11(6-9-17)12(10-15)4-7-16/h11-12H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate has a molecular weight of 274.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-amino-1-fluorobutan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 115050841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).