tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate

C19H27ClFNO3 — CID 113351223

IUPACtert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCc2c(F)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27ClFNO3/c1-5-19(24-13-14-15(20)7-6-8-16(14)21)9-11-22(12-10-19)17(23)25-18(2,3)4/h6-8H,5,9-13H2,1-4H3
InChIKeyBPNUCQNHBHRDTH-UHFFFAOYSA-N
MW371.88 g/mol
LogP5.18
Rot. Bonds4

About tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate

tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate (PubChem CID 113351223) has the molecular formula C19H27ClFNO3 and a molecular weight of 371.88 g/mol. Its IUPAC name is tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
PubChem CID113351223
Molecular FormulaC19H27ClFNO3
Molecular Weight371.88 g/mol
Exact Mass371.17
IUPAC Nametert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCc2c(F)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27ClFNO3/c1-5-19(24-13-14-15(20)7-6-8-16(14)21)9-11-22(12-10-19)17(23)25-18(2,3)4/h6-8H,5,9-13H2,1-4H3
InChIKeyBPNUCQNHBHRDTH-UHFFFAOYSA-N
XLogP5.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916047
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056
tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
CID 18794739
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 3-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 71630780
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 4-ethyl-4-(2-fluorophenyl)azepane-1-carboxylate
CID 123459614
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate (CID 113351223) is tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate is CCC1(OCc2c(F)cccc2Cl)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate?
The InChIKey is BPNUCQNHBHRDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFNO3/c1-5-19(24-13-14-15(20)7-6-8-16(14)21)9-11-22(12-10-19)17(23)25-18(2,3)4/h6-8H,5,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate?
tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate has a molecular weight of 371.88 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 113351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).