tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate

C18H37N3O2 — CID 103879002

IUPACtert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)CN(C)C
InChIInChI=1S/C18H37N3O2/c1-14(19-15(2)13-20(6)7)12-16-10-8-9-11-21(16)17(22)23-18(3,4)5/h14-16,19H,8-13H2,1-7H3
InChIKeyOZQJKLHTDORKCI-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.09
Rot. Bonds6

About tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate

tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate (PubChem CID 103879002) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
PubChem CID103879002
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)CN(C)C
InChIInChI=1S/C18H37N3O2/c1-14(19-15(2)13-20(6)7)12-16-10-8-9-11-21(16)17(22)23-18(3,4)5/h14-16,19H,8-13H2,1-7H3
InChIKeyOZQJKLHTDORKCI-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580
tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
CID 103723728
tert-butyl 2-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propyl]piperidine-1-carboxylate
CID 106187174
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 113248704

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate (CID 103879002) is tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)CN(C)C.
What is the InChIKey of tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate?
The InChIKey is OZQJKLHTDORKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-14(19-15(2)13-20(6)7)12-16-10-8-9-11-21(16)17(22)23-18(3,4)5/h14-16,19H,8-13H2,1-7H3.
What are the key properties of tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate has a molecular weight of 327.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103879002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).