tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate

C19H30N2O3 — CID 119037964

IUPACtert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCCc1ccc(C2CN(C(=O)OC(C)(C)C)CCN2CCO)cc1
InChIInChI=1S/C19H30N2O3/c1-5-15-6-8-16(9-7-15)17-14-21(11-10-20(17)12-13-22)18(23)24-19(2,3)4/h6-9,17,22H,5,10-14H2,1-4H3
InChIKeyXOXPDGCAJMCTEJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 119037964) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID119037964
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCCc1ccc(C2CN(C(=O)OC(C)(C)C)CCN2CCO)cc1
InChIInChI=1S/C19H30N2O3/c1-5-15-6-8-16(9-7-15)17-14-21(11-10-20(17)12-13-22)18(23)24-19(2,3)4/h6-9,17,22H,5,10-14H2,1-4H3
InChIKeyXOXPDGCAJMCTEJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(4-ethylphenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
CID 100738132
tert-butyl (3R)-3-(4-ethylphenyl)-4-(4-methylsulfonylbutanoyl)piperazine-1-carboxylate
CID 100733823
tert-butyl 3,4-bis[4-(cyanomethyl)phenyl]piperazine-1-carboxylate
CID 175132846
tert-butyl (3S)-4-(3-hydroxypropyl)-3-methylpiperazine-1-carboxylate
CID 58007390
4-[[2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088591
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71635020
tert-butyl (3R)-3-methyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 97177200
tert-butyl 4-benzyl-3-(3-hydroxypropyl)piperazine-1-carboxylate
CID 23247137
tert-butyl (3R)-4-[(6-chloro-3-pyridinyl)methyl]-3-methylpiperazine-1-carboxylate
CID 86329298
tert-butyl (3R)-4-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100765590
tert-butyl (3R)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyridin-4-ylpiperazine-1-carboxylate
CID 100765596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate (CID 119037964) is tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate is CCc1ccc(C2CN(C(=O)OC(C)(C)C)CCN2CCO)cc1.
What is the InChIKey of tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is XOXPDGCAJMCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-15-6-8-16(9-7-15)17-14-21(11-10-20(17)12-13-22)18(23)24-19(2,3)4/h6-9,17,22H,5,10-14H2,1-4H3.
What are the key properties of tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate?
tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethylphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 119037964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).