tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine

C47H88N8O8 — CID 161105075

IUPACtert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine
SMILESC1CCNCC1.C1COCCN1.CC(C)(C)OC(=O)CN.CCOC(=O)C1CCNCC1.CNCc1ccccc1.COc1ccc(CCN)cc1OC.NCCN1CCOCC1
InChIInChI=1S/C10H15NO2.C8H15NO2.C8H11N.C6H14N2O.C6H13NO2.C5H11N.C4H9NO/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-2-11-8(10)7-3-5-9-6-4-7;1-9-7-8-5-3-2-4-6-8;7-1-2-8-3-5-9-6-4-8;1-6(2,3)9-5(8)4-7;1-2-4-6-5-3-1;1-3-6-4-2-5-1/h3-4,7H,5-6,11H2,1-2H3;7,9H,2-6H2,1H3;2-6,9H,7H2,1H3;1-7H2;4,7H2,1-3H3;6H,1-5H2;5H,1-4H2
InChIKeyUIYGQRCPEKUDTO-UHFFFAOYSA-N
MW893.27 g/mol
LogP3.09
Rot. Bonds11

About tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine

tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine (PubChem CID 161105075) has the molecular formula C47H88N8O8 and a molecular weight of 893.27 g/mol. Its IUPAC name is tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine.

Molecular Properties

Compound Nametert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine
PubChem CID161105075
Molecular FormulaC47H88N8O8
Molecular Weight893.27 g/mol
Exact Mass892.67
IUPAC Nametert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine
SMILESC1CCNCC1.C1COCCN1.CC(C)(C)OC(=O)CN.CCOC(=O)C1CCNCC1.CNCc1ccccc1.COc1ccc(CCN)cc1OC.NCCN1CCOCC1
InChIInChI=1S/C10H15NO2.C8H15NO2.C8H11N.C6H14N2O.C6H13NO2.C5H11N.C4H9NO/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-2-11-8(10)7-3-5-9-6-4-7;1-9-7-8-5-3-2-4-6-8;7-1-2-8-3-5-9-6-4-8;1-6(2,3)9-5(8)4-7;1-2-4-6-5-3-1;1-3-6-4-2-5-1/h3-4,7H,5-6,11H2,1-2H3;7,9H,2-6H2,1H3;2-6,9H,7H2,1H3;1-7H2;4,7H2,1-3H3;6H,1-5H2;5H,1-4H2
InChIKeyUIYGQRCPEKUDTO-UHFFFAOYSA-N
XLogP3.09
TPSA218.94 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.27
LogP ≤ 53.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine with MolForge

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Related Compounds

2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
tert-butyl N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate
CID 158787705
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
ethyl 1-[N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994047
ethyl 1-[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157654
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylate
CID 141241691
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine?
The IUPAC name of tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine (CID 161105075) is tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine.
What is the SMILES notation for tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine?
The canonical SMILES for tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine is C1CCNCC1.C1COCCN1.CC(C)(C)OC(=O)CN.CCOC(=O)C1CCNCC1.CNCc1ccccc1.COc1ccc(CCN)cc1OC.NCCN1CCOCC1.
What is the InChIKey of tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine?
The InChIKey is UIYGQRCPEKUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C8H15NO2.C8H11N.C6H14N2O.C6H13NO2.C5H11N.C4H9NO/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-2-11-8(10)7-3-5-9-6-4-7;1-9-7-8-5-3-2-4-6-8;7-1-2-8-3-5-9-6-4-8;1-6(2,3)9-5(8)4-7;1-2-4-6-5-3-1;1-3-6-4-2-5-1/h3-4,7H,5-6,11H2,1-2H3;7,9H,2-6H2,1H3;2-6,9H,7H2,1H3;1-7H2;4,7H2,1-3H3;6H,1-5H2;5H,1-4H2.
What are the key properties of tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine?
tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine has a molecular weight of 893.27 g/mol, XLogP of 3.09, 11 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aminoacetate;2-(3,4-dimethoxyphenyl)ethanamine;ethyl piperidine-4-carboxylate;N-methyl-1-phenylmethanamine;morpholine;2-morpholin-4-ylethanamine;piperidine is sourced from PubChem (CID 161105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).