2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine

C83H176N12O7 — CID 165061734

IUPAC2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C)CC1.C=C(OC)N1CCN(C)CC1.CC(C)(C)C.CC1CC1.CC1CCCCC1.CC1CCCCC1.CC1CCN(C)C1.CCOC.CN1CCC(C(=O)O)CC1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C8H16N2O.C8H16N2.C7H13NO2.2C7H14.2C6H13NO.2C6H13N.C5H12N2.C5H11NO.C5H12.C4H8.C3H8O/c1-8(11-3)10-6-4-9(2)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-8-4-2-6(3-5-8)7(9)10;2*1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,3)4;1-4-2-3-4;1-3-4-2/h1,4-7H2,2-3H3;1,4-7H2,2-3H3;6H,2-5H2,1H3,(H,9,10);2*7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;6H,3-5H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-4H3;4H,2-3H2,1H3;3H2,1-2H3
InChIKeyRHXVDHBTZUWCIW-UHFFFAOYSA-N
MW1454.40 g/mol
LogP12.50
Rot. Bonds5

About 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine

2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine (PubChem CID 165061734) has the molecular formula C83H176N12O7 and a molecular weight of 1454.40 g/mol. Its IUPAC name is 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
PubChem CID165061734
Molecular FormulaC83H176N12O7
Molecular Weight1454.40 g/mol
Exact Mass1453.38
IUPAC Name2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C)CC1.C=C(OC)N1CCN(C)CC1.CC(C)(C)C.CC1CC1.CC1CCCCC1.CC1CCCCC1.CC1CCN(C)C1.CCOC.CN1CCC(C(=O)O)CC1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C8H16N2O.C8H16N2.C7H13NO2.2C7H14.2C6H13NO.2C6H13N.C5H12N2.C5H11NO.C5H12.C4H8.C3H8O/c1-8(11-3)10-6-4-9(2)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-8-4-2-6(3-5-8)7(9)10;2*1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,3)4;1-4-2-3-4;1-3-4-2/h1,4-7H2,2-3H3;1,4-7H2,2-3H3;6H,2-5H2,1H3,(H,9,10);2*7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;6H,3-5H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-4H3;4H,2-3H2,1H3;3H2,1-2H3
InChIKeyRHXVDHBTZUWCIW-UHFFFAOYSA-N
XLogP12.50
TPSA153.12 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.40
LogP ≤ 512.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine with MolForge

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Related Compounds

bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
CID 157304328
3-methylcyclopentan-1-ol;N-methylcyclopropanamine;4-methylmorpholine;1-methylpiperidine;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;N-methyl-1-pyrrolidin-1-ylmethanamine
CID 160741972
ethylcyclohexane;4-ethyloxane;4-ethylpiperidine;3-methyl-3-azabicyclo[3.1.0]hexane;1-methylazetidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 164982416
(3R)-1,3-dimethylpyrrolidine;methoxyethane
CID 168995802
1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine
CID 160933433
1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine-3-carboxylic acid;methane
CID 159164271
(3S)-1,3-dimethylpyrrolidine;(3S)-1-methylpyrrolidin-3-ol
CID 159420555
1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine
CID 168890464
butan-2-ylcyclopropane;1-cyclopropylethylcyclopropane;1,1-difluoro-4-methylcyclohexane;1,1-difluoro-3-methylcyclopentane;1,4-dimethylpiperazine;2,2-dimethylpropane;1-methoxy-2-methylpropane;2-methylbutane;methylcycloheptane;methylcyclohexane;4-methylcyclohexan-1-ol;4-methylcyclohexan-1-one;6-methyl-1,4-dioxepane;4-methylmorpholine;3-methyloxane;(3R)-3-methyloxane;(3S)-3-methyloxane;4-methyloxane;7-methyl-4-oxaspiro[2.5]octane;3-methyl-1,3-oxazinane;3-methyloxepane;4-methyloxepane;3-methylpentane;1-methylpiperazine;1-methylpiperidine;1-methylpiperidin-4-ol;2-methylpropane;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;6-methylspiro[2.4]heptane;5-methylspiro[2.3]hexane;6-methylspiro[2.5]octane;7-methylspiro[2.5]octane;8-methylspiro[2.5]octane;propane;tris(propan-2-ylcyclopropane);1,1,4-trimethylcyclohexane
CID 165108316
1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 167590242
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
1-(1-methoxyethenyl)-4-methylpiperidine
CID 143020458

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine (CID 165061734) is 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(C)CC1.C=C(OC)N1CCN(C)CC1.CC(C)(C)C.CC1CC1.CC1CCCCC1.CC1CCCCC1.CC1CCN(C)C1.CCOC.CN1CCC(C(=O)O)CC1.CN1CCC(O)CC1.CN1CCCC(O)C1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine?
The InChIKey is RHXVDHBTZUWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C8H16N2.C7H13NO2.2C7H14.2C6H13NO.2C6H13N.C5H12N2.C5H11NO.C5H12.C4H8.C3H8O/c1-8(11-3)10-6-4-9(2)5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-8-4-2-6(3-5-8)7(9)10;2*1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-7-4-2-3-6(8)5-7;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5(2,3)4;1-4-2-3-4;1-3-4-2/h1,4-7H2,2-3H3;1,4-7H2,2-3H3;6H,2-5H2,1H3,(H,9,10);2*7H,2-6H2,1H3;2*6,8H,2-5H2,1H3;6H,3-5H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;1-4H3;4H,2-3H2,1H3;3H2,1-2H3.
What are the key properties of 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine?
2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine has a molecular weight of 1454.40 g/mol, XLogP of 12.50, 5 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 165061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).