tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine

C173H362N33O7S+ — CID 159038489

IUPACtert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CCC(C)CC1.C#CCN1[C@H](C)CN(C)C[C@@H]1C.C=CCN1CCC(C)CC1.CC(C)C1CN(C)CCN1.CC(CO)N1CCN(C)CC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CCN1CCN(C)CC1C.CN1CCCC(C)(C)C1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(CCO)CC1.CN1CCN(S(C)(=O)=O)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CC[N+](C)(C)CC1.COCCN1CCC(C)CC1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@@H]1CN(C)C[C@H](C)N1C
InChIInChI=1S/C10H20N2O2.C10H18N2.C9H18N2.C9H19NO.2C9H17N.C9H15N.C8H18N2O.C8H16N2.3C8H18N2.C8H17N.C7H16N2O.C7H17N2.C7H16N2.2C7H15N.C7H14.C6H14N2O2S.2C6H13N/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-5-6-12-9(2)7-11(4)8-10(12)3;1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-3-5-10(6-4-9)7-8-11-2;1-8-4-6-10(7-5-8)9-2-3-9;2*1-3-6-10-7-4-9(2)5-8-10;1-8(7-11)10-5-3-9(2)4-6-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-5-9(3)6-8(2)10(7)4;1-7(2)8-6-10(3)5-4-9-8;1-4-10-6-5-9(3)7-8(10)2;1-8(2)5-4-6-9(3)7-8;1-8-2-4-9(5-3-8)6-7-10;1-8-4-6-9(2,3)7-5-8;1-6-4-9(3)5-7(2)8-6;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-7-3-5-8(6-4-7)11(2,9)10;2*1-7-5-3-2-4-6-7/h5-8H2,1-4H3;1,9-10H,6-8H2,2-4H3;9H,2-8H2,1H3;9H,3-8H2,1-2H3;8-9H,2-7H2,1H3;3,9H,1,4-8H2,2H3;1,9H,4-8H2,2H3;8,11H,3-7H2,1-2H3;8H,2-7H2,1H3;7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;10H,2-7H2,1H3;4-7H2,1-3H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3/q;;;;;;;;;;;;;;+1;;;;;;;/t;9-,10+;;;;;;;;7-,8+;;;;;;6-,7+;;;;;;
InChIKeyJVTCPEWZQSMUMW-IGEJPSPFSA-N
MW3049.09 g/mol
LogP19.04
Rot. Bonds15

About tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine

tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine (PubChem CID 159038489) has the molecular formula C173H362N33O7S+ and a molecular weight of 3049.09 g/mol. Its IUPAC name is tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Nametert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine
PubChem CID159038489
Molecular FormulaC173H362N33O7S+
Molecular Weight3049.09 g/mol
Exact Mass3046.87
IUPAC Nametert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine
SMILESC#CCN1CCC(C)CC1.C#CCN1[C@H](C)CN(C)C[C@@H]1C.C=CCN1CCC(C)CC1.CC(C)C1CN(C)CCN1.CC(CO)N1CCN(C)CC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CCN1CCN(C)CC1C.CN1CCCC(C)(C)C1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(CCO)CC1.CN1CCN(S(C)(=O)=O)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CC[N+](C)(C)CC1.COCCN1CCC(C)CC1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@@H]1CN(C)C[C@H](C)N1C
InChIInChI=1S/C10H20N2O2.C10H18N2.C9H18N2.C9H19NO.2C9H17N.C9H15N.C8H18N2O.C8H16N2.3C8H18N2.C8H17N.C7H16N2O.C7H17N2.C7H16N2.2C7H15N.C7H14.C6H14N2O2S.2C6H13N/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-5-6-12-9(2)7-11(4)8-10(12)3;1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-3-5-10(6-4-9)7-8-11-2;1-8-4-6-10(7-5-8)9-2-3-9;2*1-3-6-10-7-4-9(2)5-8-10;1-8(7-11)10-5-3-9(2)4-6-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-5-9(3)6-8(2)10(7)4;1-7(2)8-6-10(3)5-4-9-8;1-4-10-6-5-9(3)7-8(10)2;1-8(2)5-4-6-9(3)7-8;1-8-2-4-9(5-3-8)6-7-10;1-8-4-6-9(2,3)7-5-8;1-6-4-9(3)5-7(2)8-6;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-7-3-5-8(6-4-7)11(2,9)10;2*1-7-5-3-2-4-6-7/h5-8H2,1-4H3;1,9-10H,6-8H2,2-4H3;9H,2-8H2,1H3;9H,3-8H2,1-2H3;8-9H,2-7H2,1H3;3,9H,1,4-8H2,2H3;1,9H,4-8H2,2H3;8,11H,3-7H2,1-2H3;8H,2-7H2,1H3;7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;10H,2-7H2,1H3;4-7H2,1-3H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3/q;;;;;;;;;;;;;;+1;;;;;;;/t;9-,10+;;;;;;;;7-,8+;;;;;;6-,7+;;;;;;
InChIKeyJVTCPEWZQSMUMW-IGEJPSPFSA-N
XLogP19.04
TPSA231.39 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds15
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003049.09
LogP ≤ 519.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine?
The IUPAC name of tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine (CID 159038489) is tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine.
What is the SMILES notation for tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine?
The canonical SMILES for tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine is C#CCN1CCC(C)CC1.C#CCN1[C@H](C)CN(C)C[C@@H]1C.C=CCN1CCC(C)CC1.CC(C)C1CN(C)CCN1.CC(CO)N1CCN(C)CC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCN(C2CC2)CC1.CCN1CCN(C)CC1C.CN1CCCC(C)(C)C1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C(=O)OC(C)(C)C)CC1.CN1CCN(CCO)CC1.CN1CCN(S(C)(=O)=O)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CC[N+](C)(C)CC1.COCCN1CCC(C)CC1.C[C@@H]1CN(C)C[C@H](C)N1.C[C@@H]1CN(C)C[C@H](C)N1C.
What is the InChIKey of tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine?
The InChIKey is JVTCPEWZQSMUMW-IGEJPSPFSA-N. The full InChI is InChI=1S/C10H20N2O2.C10H18N2.C9H18N2.C9H19NO.2C9H17N.C9H15N.C8H18N2O.C8H16N2.3C8H18N2.C8H17N.C7H16N2O.C7H17N2.C7H16N2.2C7H15N.C7H14.C6H14N2O2S.2C6H13N/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12;1-5-6-12-9(2)7-11(4)8-10(12)3;1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-3-5-10(6-4-9)7-8-11-2;1-8-4-6-10(7-5-8)9-2-3-9;2*1-3-6-10-7-4-9(2)5-8-10;1-8(7-11)10-5-3-9(2)4-6-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-5-9(3)6-8(2)10(7)4;1-7(2)8-6-10(3)5-4-9-8;1-4-10-6-5-9(3)7-8(10)2;1-8(2)5-4-6-9(3)7-8;1-8-2-4-9(5-3-8)6-7-10;1-8-4-6-9(2,3)7-5-8;1-6-4-9(3)5-7(2)8-6;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-7-3-5-8(6-4-7)11(2,9)10;2*1-7-5-3-2-4-6-7/h5-8H2,1-4H3;1,9-10H,6-8H2,2-4H3;9H,2-8H2,1H3;9H,3-8H2,1-2H3;8-9H,2-7H2,1H3;3,9H,1,4-8H2,2H3;1,9H,4-8H2,2H3;8,11H,3-7H2,1-2H3;8H,2-7H2,1H3;7-8H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;10H,2-7H2,1H3;4-7H2,1-3H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*2-6H2,1H3/q;;;;;;;;;;;;;;+1;;;;;;;/t;9-,10+;;;;;;;;7-,8+;;;;;;6-,7+;;;;;;.
What are the key properties of tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine?
tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine has a molecular weight of 3049.09 g/mol, XLogP of 19.04, 15 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperazine-1-carboxylate;1-cyclopropyl-4-methylpiperidine;1,4-dimethylpiperidine;1-ethyl-2,4-dimethylpiperazine;1-(2-methoxyethyl)-4-methylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;methylcyclohexane;1-methyl-4-methylsulfonylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;2-(4-methylpiperazin-1-yl)propan-1-ol;bis(1-methylpiperidine);(3S)-1-methyl-3-propan-2-ylpiperazine;4-methyl-1-prop-2-enylpiperidine;4-methyl-1-prop-2-ynylpiperidine;(2S,6R)-1,2,4,6-tetramethylpiperazine;(3R,5S)-1,3,5-trimethylpiperazine;1,1,4-trimethylpiperazin-1-ium;1,3,3-trimethylpiperidine;(2S,6R)-2,4,6-trimethyl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 159038489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).