1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

C66H144N10O — CID 158169296

IUPAC1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C9H19N.2C8H18N2.C8H17N.C7H15NO.C7H15N.CH4/c1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;/h4-8H2,1-3H3;2*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyFXGDWJJORUIMRI-UHFFFAOYSA-N
MW1093.95 g/mol
LogP12.36
Rot. Bonds10

About 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine

1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (PubChem CID 158169296) has the molecular formula C66H144N10O and a molecular weight of 1093.95 g/mol. Its IUPAC name is 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
PubChem CID158169296
Molecular FormulaC66H144N10O
Molecular Weight1093.95 g/mol
Exact Mass1093.15
IUPAC Name1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
SMILESC.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/3C9H19N.2C8H18N2.C8H17N.C7H15NO.C7H15N.CH4/c1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;/h4-8H2,1-3H3;2*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4
InChIKeyFXGDWJJORUIMRI-UHFFFAOYSA-N
XLogP12.36
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.95
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

N',N'-diethyl-N-methylpropane-1,3-diamine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;N,N,N',2-tetramethylpropane-1,3-diamine;N,N,1-trimethylpiperidin-4-amine;N,N',N'-trimethylpropane-1,3-diamine
CID 158860544
1-cyclopropylpiperazine;3,3-difluoropyrrolidine;N-ethylethanamine;4-ethylpiperidine;4-fluoro-4-methylpiperidine;2-methoxy-N-methylethanamine;N-methylcyclopropanamine;N-methylmethanamine;(3S)-3-methylmorpholine;1-methylpiperazine;bis(4-methylpiperidine);tris(piperidine);pyrrolidine
CID 160132680
4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
CID 157063805
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutan-1-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane
CID 157205695
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157379499
1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;1-tert-butyl-4-propan-2-ylpiperazine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;4-propan-2-yl-1,4-oxazepane
CID 157406484
Azetidine;tris(2-methylpropane);piperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine;pyrrolidine
CID 157432506
ethane;methane;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
CID 157532905
Bis(1-tert-butylpiperidine);1-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)piperidine;methane;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 157597224

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine (CID 158169296) is 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is C.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.
What is the InChIKey of 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
The InChIKey is FXGDWJJORUIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19N.2C8H18N2.C8H17N.C7H15NO.C7H15N.CH4/c1-9(2,3)10-7-5-4-6-8-10;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-5-3-4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;/h4-8H2,1-3H3;2*9H,3-8H2,1-2H3;9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;1H4.
What are the key properties of 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine?
1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine has a molecular weight of 1093.95 g/mol, XLogP of 12.36, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).