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

C63H133N9O6 — CID 158957433

IUPACtert-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
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1(C)C.CC(C)N1CCOCC1C.CC1CN(C(C)C)CC(C)O1
InChIInChI=1S/C13H26N2O2.2C9H19NO.C9H19N.2C8H17NO.C7H16N2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-7-9(10,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-3-8-4-6-9/h7-10H2,1-6H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyJMELDBCHWLEHCO-UHFFFAOYSA-N
MW1112.81 g/mol
LogP10.15
Rot. Bonds4

About 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

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 (PubChem CID 158957433) has the molecular formula C63H133N9O6 and a molecular weight of 1112.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID158957433
Molecular FormulaC63H133N9O6
Molecular Weight1112.81 g/mol
Exact Mass1112.04
IUPAC Nametert-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
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1(C)C.CC(C)N1CCOCC1C.CC1CN(C(C)C)CC(C)O1
InChIInChI=1S/C13H26N2O2.2C9H19NO.C9H19N.2C8H17NO.C7H16N2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-7-9(10,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-3-8-4-6-9/h7-10H2,1-6H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyJMELDBCHWLEHCO-UHFFFAOYSA-N
XLogP10.15
TPSA101.17 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001112.81
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-tert-butylpiperazine-1-carboxylate;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butyl-4-(trifluoromethyl)piperazine
CID 167710113
1,4-diazabicyclo[2.2.2]octan-2-ylmethyl N-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethoxycarbonylamino)hexyl]carbamate
CID 146300675
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 4-(2-propan-2-yloxyethyl)piperazine-1-carboxylate;1,2-dimethyl-4-(2-propan-2-yloxyethyl)piperazine;1-ethyl-4-(2-propan-2-yloxyethyl)piperazine;1-(2-methoxyethyl)-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)-1,4-diazepane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;3-methyl-1-(2-propan-2-yloxyethyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1,2,2-trimethyl-4-(2-propan-2-yloxyethyl)piperazine;1,2,6-trimethyl-4-(2-propan-2-yloxyethyl)piperazine
CID 157723288
Tert-butyl 4-tert-butyl-3-methylpiperazine-1-carboxylate;1-tert-butyl-1,4-diazepane;1-tert-butyl-3-methyl-1,4-diazepane;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-5-methyl-1,4-diazepane;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;3-tert-butyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;1,4-ditert-butylpiperazine
CID 157812660
Tert-butyl 4-(2-propan-2-yloxyethyl)piperazine-1-carboxylate;1,2-dimethyl-4-(2-propan-2-yloxyethyl)piperazine;1-ethyl-4-(2-propan-2-yloxyethyl)piperazine;1-(2-methoxyethyl)-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;3-methyl-1-(2-propan-2-yloxyethyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1,2,2-trimethyl-4-(2-propan-2-yloxyethyl)piperazine;1,2,6-trimethyl-4-(2-propan-2-yloxyethyl)piperazine
CID 157814546
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 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
CID 158091013
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 2,2,3,3,5,5,6,6-octadeuterio-4-oxopiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate;tert-butyl 3,3,5,5-tetradeuterio-4-oxopiperidine-1-carboxylate;2,2,3,3,5,5,6,6-octadeuteriomorpholine;2,2,6,6-tetradeuteriomorpholine;3,3,5,5-tetradeuteriomorpholine
CID 158347217
tert-butyl 4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 4-piperidin-4-yloxypiperidine-1-carboxylate
CID 158462065

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1(C)C.CC(C)N1CCOCC1C.CC1CN(C(C)C)CC(C)O1.
What is the InChIKey of 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?
The InChIKey is JMELDBCHWLEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.2C9H19NO.C9H19N.2C8H17NO.C7H16N2/c1-12(2,3)15-9-7-14(8-10-15)11(16)17-13(4,5)6;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-5-6-11-7-9(10,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-5-3-8-4-6-9/h7-10H2,1-6H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;4-8H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1112.81 g/mol, XLogP of 10.15, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158957433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).