1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane

C57H119N9O2 — CID 159410648

IUPAC1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
SMILESC.CC1CCN(C(=O)C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C11H24N2.C11H21NO.C10H21N.C9H20N2.CH4/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9-5-7-12(8-6-9)10(13)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h13H,5-12H2,1-4H3;5-10H2,1-4H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyLONNZXKMKHSTMQ-UHFFFAOYSA-N
MW962.64 g/mol
LogP9.42
Rot. Bonds3

About 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane

1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane (PubChem CID 159410648) has the molecular formula C57H119N9O2 and a molecular weight of 962.64 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
PubChem CID159410648
Molecular FormulaC57H119N9O2
Molecular Weight962.64 g/mol
Exact Mass961.95
IUPAC Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane
SMILESC.CC1CCN(C(=O)C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C11H24N2.C11H21NO.C10H21N.C9H20N2.CH4/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9-5-7-12(8-6-9)10(13)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h13H,5-12H2,1-4H3;5-10H2,1-4H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyLONNZXKMKHSTMQ-UHFFFAOYSA-N
XLogP9.42
TPSA63.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.64
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane with MolForge

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Launch Full Analysis

Related Compounds

(4-Tert-butylpiperazin-1-yl)-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-1-yl]-2,2,5-trimethylhexyl]piperidin-4-yl]methanone
CID 134582769
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylpropanamide;N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide
CID 157080063
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-(propan-2-ylamino)piperidine-4-carboxamide;1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 157734997
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158075959
1-butyl-4-propan-2-ylpiperidine;1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;4-propan-2-yl-1-propylpiperidine
CID 158091794
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158211986
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 158534491
(2S)-2-amino-1-(4-methylpiperidin-1-yl)propan-1-one;1,4-dimethylpiperazine;methane;tris(1-methylpiperidine)
CID 158792186
1-Ethyl-4-propan-2-ylpiperazine;4-ethyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(1-propan-2-ylpiperidin-4-yl)ethanone;1-propan-2-ylpyrrolidine
CID 158893731
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 159002186
1-[4-(Dimethylamino)piperidin-1-yl]-3-methylbutan-1-one;2,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 159462569
2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
CID 159887139

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane (CID 159410648) is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane is C.CC1CCN(C(=O)C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(CC(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CN1CCN(C2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane?
The InChIKey is LONNZXKMKHSTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C11H24N2.C11H21NO.C10H21N.C9H20N2.CH4/c1-15(2,3)14(19)18-7-5-13(6-8-18)17-11-9-16(4)10-12-17;1-5-12-6-8-13(9-7-12)10-11(2,3)4;1-9-5-7-12(8-6-9)10(13)11(2,3)4;1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h13H,5-12H2,1-4H3;5-10H2,1-4H3;9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane?
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane has a molecular weight of 962.64 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperidin-1-yl)propan-1-one;1-(2,2-dimethylpropyl)-4-ethylpiperazine;methane is sourced from PubChem (CID 159410648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).