tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate

C18H29N3O2 — CID 140655626

IUPACtert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate
SMILESCCN1CCC(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-5-21-10-8-13(9-11-21)14-6-7-15(19)16(12-14)20-17(22)23-18(2,3)4/h6-7,12-13H,5,8-11,19H2,1-4H3,(H,20,22)
InChIKeyGYTSHZUGFAMPGY-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate

tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate (PubChem CID 140655626) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate
PubChem CID140655626
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate
SMILESCCN1CCC(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-5-21-10-8-13(9-11-21)14-6-7-15(19)16(12-14)20-17(22)23-18(2,3)4/h6-7,12-13H,5,8-11,19H2,1-4H3,(H,20,22)
InChIKeyGYTSHZUGFAMPGY-UHFFFAOYSA-N
XLogP3.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate
CID 175065117
tert-butyl N-(2-amino-5-pyrrolidin-1-ylphenyl)carbamate
CID 146281522
tert-butyl N-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]carbamate
CID 175110264
tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
CID 118998315
tert-butyl N-[2-amino-5-(4-piperidin-1-ylpiperidin-1-yl)phenyl]carbamate
CID 146281625
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-(4-cyclopropyl-2-phenacylphenyl)carbamate
CID 131731722
tert-butyl 4-[(2-amino-5-cyclopropylphenyl)methyl]piperazine-1-carboxylate
CID 146037472
tert-butyl N-[2-amino-5-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 69487918
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
CID 117446472

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate (CID 140655626) is tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate is CCN1CCC(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate?
The InChIKey is GYTSHZUGFAMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-21-10-8-13(9-11-21)14-6-7-15(19)16(12-14)20-17(22)23-18(2,3)4/h6-7,12-13H,5,8-11,19H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate?
tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-5-(1-ethylpiperidin-4-yl)phenyl]carbamate is sourced from PubChem (CID 140655626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).