1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol

C132H276N16O6 — CID 163969020

IUPAC1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol
SMILESCC(C)(C)N1CCCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCCC[C@@H]1C(=O)O.CC(C)N1CCCC[C@@H]1O.CC(C)N1CCCC[C@H]1C.CC(C)N1CCCC[C@H]1C(=O)O.CC(C)N1CCCC[C@H]1O.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCCC1.CN1CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2.2C9H17NO2.9C9H19N.2C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-8-5-6-10(7-8)9(2,3)4;4*1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)10-7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)9-6-4-3-5-8(9)10;1-7(2)9-8-5-3-4-6-8/h5-8H2,1-4H3;2*7-8H,3-6H2,1-2H3,(H,11,12);2*8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7-8,10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3/t;4*8-;4*9-;;2*9-;2*8-;/m.10101100.1010./s1
InChIKeySOIYWBQPPFDBEO-FCYUWNTDSA-N
MW2183.77 g/mol
LogP27.59
Rot. Bonds14

About 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol

1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol (PubChem CID 163969020) has the molecular formula C132H276N16O6 and a molecular weight of 2183.77 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol
PubChem CID163969020
Molecular FormulaC132H276N16O6
Molecular Weight2183.77 g/mol
Exact Mass2182.18
IUPAC Name1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol
SMILESCC(C)(C)N1CCCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCCC[C@@H]1C(=O)O.CC(C)N1CCCC[C@@H]1O.CC(C)N1CCCC[C@H]1C.CC(C)N1CCCC[C@H]1C(=O)O.CC(C)N1CCCC[C@H]1O.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCCC1.CN1CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2.2C9H17NO2.9C9H19N.2C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-8-5-6-10(7-8)9(2,3)4;4*1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)10-7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)9-6-4-3-5-8(9)10;1-7(2)9-8-5-3-4-6-8/h5-8H2,1-4H3;2*7-8H,3-6H2,1-2H3,(H,11,12);2*8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7-8,10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3/t;4*8-;4*9-;;2*9-;2*8-;/m.10101100.1010./s1
InChIKeySOIYWBQPPFDBEO-FCYUWNTDSA-N
XLogP27.59
TPSA175.69 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.77
LogP ≤ 527.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
1-tert-butylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;methane
CID 158280327
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
2-methyl-1-propan-2-ylazepane
CID 66910895
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2,2-difluoro-3-methylbutane;1,1-difluoro-2-methylpropane;1-(methoxymethyl)-N-propan-2-ylcyclopropan-1-amine;2-methylbutane;tetrakis(1-methyl-1-propan-2-ylcyclobutane);2-methyl-N-propan-2-ylcyclopentan-1-amine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylcyclobutan-1-ol;N-propan-2-ylcyclopentanamine;(3R)-N-propan-2-yloxolan-3-amine;1-propan-2-yl-1-(trifluoromethyl)cyclopropane;2,2,3-trimethylbutane
CID 158934241
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;1,4-ditert-butylpiperidine;ethane
CID 167673709
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol (CID 163969020) is 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol is CC(C)(C)N1CCCCC1.CC(C)N1CCCC[C@@H]1C.CC(C)N1CCCC[C@@H]1C(=O)O.CC(C)N1CCCC[C@@H]1O.CC(C)N1CCCC[C@H]1C.CC(C)N1CCCC[C@H]1C(=O)O.CC(C)N1CCCC[C@H]1O.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCCC1.CN1CCN(C(C)(C)C)CC1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol?
The InChIKey is SOIYWBQPPFDBEO-FCYUWNTDSA-N. The full InChI is InChI=1S/C9H20N2.2C9H17NO2.9C9H19N.2C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;2*1-7(2)10-6-4-3-5-8(10)9(11)12;2*1-8-5-6-10(7-8)9(2,3)4;4*1-8(2)10-6-4-5-9(3)7-10;1-9(2,3)10-7-5-4-6-8-10;2*1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)9-6-4-3-5-8(9)10;1-7(2)9-8-5-3-4-6-8/h5-8H2,1-4H3;2*7-8H,3-6H2,1-2H3,(H,11,12);2*8H,5-7H2,1-4H3;4*8-9H,4-7H2,1-3H3;4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;2*7-8,10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3/t;4*8-;4*9-;;2*9-;2*8-;/m.10101100.1010./s1.
What are the key properties of 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol?
1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol has a molecular weight of 2183.77 g/mol, XLogP of 27.59, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidine;(2S)-2-methyl-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);N-propan-2-ylcyclopentanamine;(2R)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidine-2-carboxylic acid;(2S)-1-propan-2-ylpiperidin-2-ol;(2R)-1-propan-2-ylpiperidin-2-ol is sourced from PubChem (CID 163969020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).