tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate

C19H30N2O3 — CID 126847179

IUPACtert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCN(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-5-20(16-9-7-6-8-10-16)15-19(23)11-13-21(14-12-19)17(22)24-18(2,3)4/h6-10,23H,5,11-15H2,1-4H3
InChIKeyYPTBDWDPJSUPJD-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.27
Rot. Bonds4

About tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 126847179) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID126847179
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
SMILESCCN(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H30N2O3/c1-5-20(16-9-7-6-8-10-16)15-19(23)11-13-21(14-12-19)17(22)24-18(2,3)4/h6-10,23H,5,11-15H2,1-4H3
InChIKeyYPTBDWDPJSUPJD-UHFFFAOYSA-N
XLogP3.27
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(benzylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 126847748
tert-butyl 4-(2-benzylsulfonylethyl)-4-hydroxypiperidine-1-carboxylate
CID 171480544
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl (3S)-3-(ethoxymethyl)-3-[(N-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 135323316
tert-butyl 4-[3-(dibenzylamino)phenyl]-4-fluoropiperidine-1-carboxylate
CID 129320067
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
tert-butyl 4-hydroxy-4-[[methyl(2-methylpropyl)amino]methyl]piperidine-1-carboxylate
CID 67650801
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate (CID 126847179) is tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate is CCN(CC1(O)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is YPTBDWDPJSUPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-20(16-9-7-6-8-10-16)15-19(23)11-13-21(14-12-19)17(22)24-18(2,3)4/h6-10,23H,5,11-15H2,1-4H3.
What are the key properties of tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(N-ethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 126847179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).