tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate

C17H35N3O2 — CID 107248541

IUPACtert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
SMILESCCN1CCCC(C(C)NC(C)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O2/c1-7-20-10-8-9-15(12-20)14(3)19-13(2)11-18-16(21)22-17(4,5)6/h13-15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyFYTWJJAJNKUCAO-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate (PubChem CID 107248541) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
PubChem CID107248541
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
SMILESCCN1CCCC(C(C)NC(C)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H35N3O2/c1-7-20-10-8-9-15(12-20)14(3)19-13(2)11-18-16(21)22-17(4,5)6/h13-15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyFYTWJJAJNKUCAO-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
CID 107250773
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
CID 107247379
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 60932602
tert-butyl 3-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103948614
tert-butyl 3-[1-(octan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 113232684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate (CID 107248541) is tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate is CCN1CCCC(C(C)NC(C)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate?
The InChIKey is FYTWJJAJNKUCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-7-20-10-8-9-15(12-20)14(3)19-13(2)11-18-16(21)22-17(4,5)6/h13-15,19H,7-12H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).