tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate

C15H27FN2O2 — CID 59342450

IUPACtert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
SMILESCC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3
InChIKeyAKHBWRKLQXHBKM-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate

tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate (PubChem CID 59342450) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
PubChem CID59342450
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Nametert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate
SMILESCC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3
InChIKeyAKHBWRKLQXHBKM-UHFFFAOYSA-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

tert-butyl N-[(3S)-4-ethyl-5-methyl-1-(2,2,2-trifluoroacetyl)-3,6-dihydro-2H-pyridin-3-yl]carbamate
CID 20792025
tert-butyl N-[4-ethyl-5-methyl-1-(2,2,2-trifluoroacetyl)-3,6-dihydro-2H-pyridin-3-yl]carbamate
CID 22474739
Tert-butyl 4-(2-(diethylamino)-1-fluoroethylidene)piperidine-1-carboxylate
CID 58804072
Tert-butyl 4-(2-(dimethylamino)-1-fluoroethylidene)piperidine-1-carboxylate
CID 58804095
tert-butyl (3Z)-3-(1-fluoropropylidene)piperidine-1-carboxylate
CID 59650042
Tert-butyl 4-(1-fluoropropylidene)piperidine-1-carboxylate
CID 59650048
Tert-butyl 4-(2-ethenylpenta-2,4-dienylamino)-3-fluoropiperidine-1-carboxylate
CID 91127963
tert-butyl N-[(2S)-1-[(2-fluoro-2-piperidin-3-ylideneethyl)amino]-1-oxopropan-2-yl]carbamate
CID 141321924
Tert-butyl 4-[(4,6-difluorocyclohexa-1,3-dien-1-yl)methylamino]piperidine-1-carboxylate
CID 143382599
tert-butyl (3E)-3-(1-fluoropropylidene)piperidine-1-carboxylate
CID 143605998
tert-butyl 3-fluoro-4-[[(Z)-pent-2-en-2-yl]amino]piperidine-1-carboxylate
CID 163734305
tert-butyl N-[(3R,4R)-1-[(E)-2-ethylpent-2-enyl]-4-fluoropiperidin-3-yl]carbamate
CID 167136892

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate (CID 59342450) is tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate is CC(C)NCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
The InChIKey is AKHBWRKLQXHBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-11(2)17-10-13(16)12-6-8-18(9-7-12)14(19)20-15(3,4)5/h11,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate?
tert-butyl 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]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 4-[1-fluoro-2-(propan-2-ylamino)ethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 59342450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).