tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate

C15H31N3O2 — CID 107245368

IUPACtert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-5-18(14(19)20-15(2,3)4)11-10-17-12-13-6-8-16-9-7-13/h13,16-17H,5-12H2,1-4H3
InChIKeyZIHRPCMBWUSRJH-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.83
Rot. Bonds6

About tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate (PubChem CID 107245368) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
PubChem CID107245368
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31N3O2/c1-5-18(14(19)20-15(2,3)4)11-10-17-12-13-6-8-16-9-7-13/h13,16-17H,5-12H2,1-4H3
InChIKeyZIHRPCMBWUSRJH-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-methyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245065
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
CID 107246109
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate (CID 107245368) is tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate is CCN(CCNCC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
The InChIKey is ZIHRPCMBWUSRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-18(14(19)20-15(2,3)4)11-10-17-12-13-6-8-16-9-7-13/h13,16-17H,5-12H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107245368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).