tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine

C65H138N10O3 — CID 159337539

IUPACtert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C10H22N2.3C9H19N.C8H18N2.C7H15NO/c1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3,(H,14,16);9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLFSRHCZBSHQILA-UHFFFAOYSA-N
MW1107.89 g/mol
LogP11.73
Rot. Bonds9

About tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine

tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine (PubChem CID 159337539) has the molecular formula C65H138N10O3 and a molecular weight of 1107.89 g/mol. Its IUPAC name is tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Nametert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
PubChem CID159337539
Molecular FormulaC65H138N10O3
Molecular Weight1107.89 g/mol
Exact Mass1107.10
IUPAC Nametert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C10H22N2.3C9H19N.C8H18N2.C7H15NO/c1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3,(H,14,16);9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLFSRHCZBSHQILA-UHFFFAOYSA-N
XLogP11.73
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.89
LogP ≤ 511.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-amine
CID 157284720
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;tert-butyl N-[(3S)-1-propan-2-ylpiperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-propan-2-ylpiperidin-3-yl]carbamate;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine
CID 157300271
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;methane;bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-4-amine
CID 157734607
Tert-butyl 4-(4,4-dimethylpentan-2-yl)piperazine-1-carboxylate;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-3,3-dimethylmorpholine;4-(3,3-dimethylbutyl)-3-methylmorpholine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidine;4-(4,4-dimethylpentan-2-yl)morpholine;1-(4,4-dimethylpentan-2-yl)piperidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;methane;bis(4-(2,3,3-trimethylbutyl)morpholine)
CID 157956362
bis(tert-butyl (3R,5S)-3,5-dimethylpiperidine-1-carboxylate);tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;(3R,5S)-3,5-dimethylpiperidine;(2R,6S)-2,6-dimethyl-1-propan-2-ylpiperazine
CID 158040858
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 158125524
Tert-butyl 4-tert-butylpiperazine-1-carboxylate;4-tert-butylmorpholine;1-tert-butylpiperidine;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 158957433
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
CID 159133442
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 159317189
Tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
CID 159349141
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(tert-butylamino)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
CID 159615002
1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine
CID 159664651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine?
The IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine (CID 159337539) is tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine?
The InChIKey is LFSRHCZBSHQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C10H22N2.3C9H19N.C8H18N2.C7H15NO/c1-10(2)15-8-6-11(7-9-15)14-12(16)17-13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)8-3-5-9-6-4-8/h10-11H,6-9H2,1-5H3,(H,14,16);9-10H,5-8H2,1-4H3;3*8-9H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine?
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine has a molecular weight of 1107.89 g/mol, XLogP of 11.73, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 159337539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).