tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine

C123H272N16O3 — CID 159729588

IUPACtert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine
SMILESC.C.C.C.C.C.CC(C)C1CCCC1C.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCCC1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCCN(C(C)C)C1.CCC1CCCN1C(C)C
InChIInChI=1S/C13H26N2O2.C10H22N2.C10H21N.5C9H19N.C9H18.C8H18N2.C8H17N.C7H16N2.C7H15NO.6CH4/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;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)10-6-5-9(3,4)7-10;3*1-8(2)10-6-4-9(3)5-7-10;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-6-4-5-8(9)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-6-4-5-8(9)3;1-7(2)9-5-3-8-4-6-9;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;9-10H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1H4
InChIKeyNBBLWHROVIQOFU-UHFFFAOYSA-N
MW2023.64 g/mol
LogP27.72
Rot. Bonds17

About tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine

tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine (PubChem CID 159729588) has the molecular formula C123H272N16O3 and a molecular weight of 2023.64 g/mol. Its IUPAC name is tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Nametert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine
PubChem CID159729588
Molecular FormulaC123H272N16O3
Molecular Weight2023.64 g/mol
Exact Mass2022.16
IUPAC Nametert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine
SMILESC.C.C.C.C.C.CC(C)C1CCCC1C.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCCC1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCCN(C(C)C)C1.CCC1CCCN1C(C)C
InChIInChI=1S/C13H26N2O2.C10H22N2.C10H21N.5C9H19N.C9H18.C8H18N2.C8H17N.C7H16N2.C7H15NO.6CH4/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;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)10-6-5-9(3,4)7-10;3*1-8(2)10-6-4-9(3)5-7-10;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-6-4-5-8(9)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-6-4-5-8(9)3;1-7(2)9-5-3-8-4-6-9;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;9-10H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1H4
InChIKeyNBBLWHROVIQOFU-UHFFFAOYSA-N
XLogP27.72
TPSA127.73 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.64
LogP ≤ 527.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;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;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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine?
The IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine (CID 159729588) is tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine is C.C.C.C.C.C.CC(C)C1CCCC1C.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)N1CCCC1C.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CCCN(C(C)C)C1.CCC1CCCN1C(C)C.
What is the InChIKey of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine?
The InChIKey is NBBLWHROVIQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C10H22N2.C10H21N.5C9H19N.C9H18.C8H18N2.C8H17N.C7H16N2.C7H15NO.6CH4/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;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)10-6-5-9(3,4)7-10;3*1-8(2)10-6-4-9(3)5-7-10;1-4-9-6-5-7-10(9)8(2)3;1-7(2)9-6-4-5-8(9)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-6-4-5-8(9)3;1-7(2)9-5-3-8-4-6-9;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;9-10H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6*1H4.
What are the key properties of tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine?
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine has a molecular weight of 2023.64 g/mol, XLogP of 27.72, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;3,3-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;1-methyl-2-propan-2-ylcyclopentane;tris(4-methyl-1-propan-2-ylpiperidine);2-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 159729588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).