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

C17H35N3O2 — CID 107250773

IUPACtert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C17H35N3O2/c1-7-15(11-18-16(21)22-17(3,4)5)19-13(2)14-9-8-10-20(6)12-14/h13-15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyOCHKMMBOBMECSF-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.61
Rot. Bonds6

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

tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate (PubChem CID 107250773) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
PubChem CID107250773
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C17H35N3O2/c1-7-15(11-18-16(21)22-17(3,4)5)19-13(2)14-9-8-10-20(6)12-14/h13-15,19H,7-12H2,1-6H3,(H,18,21)
InChIKeyOCHKMMBOBMECSF-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-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[4-methyl-2-[(1-methylpiperidin-3-yl)methylamino]pentyl]carbamate
CID 107252275
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-(1-cyclopropylethylamino)hexyl]carbamate
CID 103788606
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate (CID 107250773) is tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(C)C1CCCN(C)C1.
What is the InChIKey of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate?
The InChIKey is OCHKMMBOBMECSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-7-15(11-18-16(21)22-17(3,4)5)19-13(2)14-9-8-10-20(6)12-14/h13-15,19H,7-12H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate?
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]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-methylpiperidin-3-yl)ethylamino]butyl]carbamate is sourced from PubChem (CID 107250773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).