tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate

C14H26F2N2O2 — CID 103512875

IUPACtert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate
SMILESCCNCC1(C(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26F2N2O2/c1-5-17-10-14(11(15)16)6-8-18(9-7-14)12(19)20-13(2,3)4/h11,17H,5-10H2,1-4H3
InChIKeyBBXYSNFLPDTLLL-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate

tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate (PubChem CID 103512875) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate
PubChem CID103512875
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate
SMILESCCNCC1(C(F)F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26F2N2O2/c1-5-17-10-14(11(15)16)6-8-18(9-7-14)12(19)20-13(2,3)4/h11,17H,5-10H2,1-4H3
InChIKeyBBXYSNFLPDTLLL-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(azidomethyl)-4-(difluoromethyl)piperidine-1-carboxylate
CID 178190091
tert-butyl 3-(difluoromethyl)-3-(methylaminomethyl)piperidine-1-carboxylate
CID 103512878
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate (CID 103512875) is tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate is CCNCC1(C(F)F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate?
The InChIKey is BBXYSNFLPDTLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-5-17-10-14(11(15)16)6-8-18(9-7-14)12(19)20-13(2,3)4/h11,17H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate?
tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate has a molecular weight of 292.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(difluoromethyl)-4-(ethylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 103512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).