tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate

C19H31N3O3 — CID 171491758

IUPACtert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
SMILESCCc1cc(N)c(OC)cc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-6-13-11-15(20)17(24-5)12-16(13)22-9-7-14(8-10-22)21-18(23)25-19(2,3)4/h11-12,14H,6-10,20H2,1-5H3,(H,21,23)
InChIKeyKTLXEIMFWSDEEK-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate (PubChem CID 171491758) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
PubChem CID171491758
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate
SMILESCCc1cc(N)c(OC)cc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-6-13-11-15(20)17(24-5)12-16(13)22-9-7-14(8-10-22)21-18(23)25-19(2,3)4/h11-12,14H,6-10,20H2,1-5H3,(H,21,23)
InChIKeyKTLXEIMFWSDEEK-UHFFFAOYSA-N
XLogP3.33
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[[4-(4-amino-2-fluoro-5-methoxyphenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 170953965
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
3-[2-amino-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenoxy]propyl acetate
CID 172562068
tert-butyl N-[7-(4-amino-2-ethyl-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]-N-methylcarbamate
CID 167273532
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
tert-butyl N-[5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 89182828
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-[4-(diaminomethylidenecarbamoyl)-5-ethyl-2-methylsulfonylphenyl]piperidin-4-yl]carbamate
CID 19377791
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate (CID 171491758) is tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate is CCc1cc(N)c(OC)cc1N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate?
The InChIKey is KTLXEIMFWSDEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-13-11-15(20)17(24-5)12-16(13)22-9-7-14(8-10-22)21-18(23)25-19(2,3)4/h11-12,14H,6-10,20H2,1-5H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 171491758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).