tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate

C15H27FN2O2 — CID 163734305

IUPACtert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate
SMILESCC/C=C(/C)NC1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C15H27FN2O2/c1-6-7-11(2)17-13-8-9-18(10-12(13)16)14(19)20-15(3,4)5/h7,12-13,17H,6,8-10H2,1-5H3/b11-7-
InChIKeyLCGUEHJZIJLSPV-XFFZJAGNSA-N
MW286.39 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate

tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate (PubChem CID 163734305) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate
PubChem CID163734305
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Nametert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate
SMILESCC/C=C(/C)NC1CCN(C(=O)OC(C)(C)C)CC1F
InChIInChI=1S/C15H27FN2O2/c1-6-7-11(2)17-13-8-9-18(10-12(13)16)14(19)20-15(3,4)5/h7,12-13,17H,6,8-10H2,1-5H3/b11-7-
InChIKeyLCGUEHJZIJLSPV-XFFZJAGNSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143382599
CID 143382599
CID 148008303
CID 148008303
CID 167136892
CID 167136892
CID 126828049
CID 126828049
CID 137835801
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CID 54132732
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CID 66849914
CID 66849914

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate (CID 163734305) is tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate is CC/C=C(/C)NC1CCN(C(=O)OC(C)(C)C)CC1F.
What is the InChIKey of tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is LCGUEHJZIJLSPV-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-6-7-11(2)17-13-8-9-18(10-12(13)16)14(19)20-15(3,4)5/h7,12-13,17H,6,8-10H2,1-5H3/b11-7-.
What are the key properties of tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 286.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 163734305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).