1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine

C64H115N11OS — CID 161354811

IUPAC1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)n1cccc1
InChIInChI=1S/C10H12N2.C10H11NS.C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15N.C7H11N/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8/h3-7H,1-2H3,(H,11,12);3-7H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3
InChIKeyVOKAXVSTFOZBTI-UHFFFAOYSA-N
MW1086.77 g/mol
LogP13.22
Rot. Bonds8

About 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine

1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine (PubChem CID 161354811) has the molecular formula C64H115N11OS and a molecular weight of 1086.77 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
PubChem CID161354811
Molecular FormulaC64H115N11OS
Molecular Weight1086.77 g/mol
Exact Mass1085.90
IUPAC Name1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)n1cccc1
InChIInChI=1S/C10H12N2.C10H11NS.C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15N.C7H11N/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8/h3-7H,1-2H3,(H,11,12);3-7H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3
InChIKeyVOKAXVSTFOZBTI-UHFFFAOYSA-N
XLogP13.22
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001086.77
LogP ≤ 513.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-(1,3-thiazol-5-yl)purin-6-amine
CID 146254054
5-(1,3-benzothiazol-2-yl)-6-[2-(1H-imidazol-2-yl)ethylamino]-2-morpholin-4-yl-1,3-diazinan-4-one
CID 134612324
9-(1,3-benzothiazol-6-yl)-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
CID 172448557
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 66870401
N-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-9-thiophen-3-ylpurin-6-amine
CID 117081845
N-(1H-benzimidazol-2-ylmethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
CID 117092227
4-[4-[6-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-benzimidazol-2-yl]phenyl]morpholine
CID 25051112
5-[5-[4-[(3S)-3,4-dimethylpiperazin-1-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
CID 53476124
5-[5-[1-(2-methoxyethyl)-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-yl]-1H-imidazol-2-yl]-1,3-benzothiazole
CID 53476125
(3R)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 53476344
(3S)-4-[2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-5-yl]-1-(2-methoxyethyl)imidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 53476345
4-[5-(3H-benzimidazol-1-ium-1-yl)-2-[(3-morpholin-4-ylazetidin-1-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 59605666

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine (CID 161354811) is 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)N1CCOCC1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2s1.CC(C)n1cccc1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The InChIKey is VOKAXVSTFOZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C10H11NS.C8H18N2.C8H17N.C7H16N2.C7H15NO.C7H15N.C7H11N/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)9-5-3-8-4-6-9;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8/h3-7H,1-2H3,(H,11,12);3-7H,1-2H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine has a molecular weight of 1086.77 g/mol, XLogP of 13.22, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 161354811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).