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

C16H33N3O2 — CID 107246109

IUPACtert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-5-11-19(15(20)21-16(2,3)4)12-10-17-13-14-8-6-7-9-18-14/h14,17-18H,5-13H2,1-4H3
InChIKeyUBKARUQQUDVWOP-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.37
Rot. Bonds7

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

tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate (PubChem CID 107246109) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
PubChem CID107246109
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate
SMILESCCCN(CCNCC1CCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-5-11-19(15(20)21-16(2,3)4)12-10-17-13-14-8-6-7-9-18-14/h14,17-18H,5-13H2,1-4H3
InChIKeyUBKARUQQUDVWOP-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.37
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-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-ethyl-N-[2-(piperidin-3-ylmethylamino)ethyl]carbamate
CID 107245281
tert-butyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187181
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-N-propylcarbamate
CID 107246113
tert-butyl N-[2-(oxan-4-ylamino)ethyl]-N-propylcarbamate
CID 103846759
tert-butyl N-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]-N-propylcarbamate
CID 107246107
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate (CID 107246109) is tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate is CCCN(CCNCC1CCCCN1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate?
The InChIKey is UBKARUQQUDVWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-11-19(15(20)21-16(2,3)4)12-10-17-13-14-8-6-7-9-18-14/h14,17-18H,5-13H2,1-4H3.
What are the key properties of tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate?
tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate has a molecular weight of 299.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(piperidin-2-ylmethylamino)ethyl]-N-propylcarbamate is sourced from PubChem (CID 107246109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).