tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate

C19H29FN2O3 — CID 113261587

IUPACtert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
SMILESCOc1cccc(F)c1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H29FN2O3/c1-13(17-15(20)9-6-10-16(17)24-5)21-14-8-7-11-22(12-14)18(23)25-19(2,3)4/h6,9-10,13-14,21H,7-8,11-12H2,1-5H3
InChIKeyJORQRDYPEKZJGI-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.88
Rot. Bonds4

About tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate

tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate (PubChem CID 113261587) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
PubChem CID113261587
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nametert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
SMILESCOc1cccc(F)c1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H29FN2O3/c1-13(17-15(20)9-6-10-16(17)24-5)21-14-8-7-11-22(12-14)18(23)25-19(2,3)4/h6,9-10,13-14,21H,7-8,11-12H2,1-5H3
InChIKeyJORQRDYPEKZJGI-UHFFFAOYSA-N
XLogP3.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174899378
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CID 146123551
tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
CID 144885911
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CID 103821019
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CID 97175470
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
CID 63302812
tert-butyl 3-[1-(2,3-dichlorophenyl)ethylamino]azepane-1-carboxylate
CID 114079617
2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 97334409
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate (CID 113261587) is tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate is COc1cccc(F)c1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is JORQRDYPEKZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-13(17-15(20)9-6-10-16(17)24-5)21-14-8-7-11-22(12-14)18(23)25-19(2,3)4/h6,9-10,13-14,21H,7-8,11-12H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate?
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 352.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113261587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).