(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid

C64H130N8O10 — CID 165050023

IUPAC(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)N1CCCC[C@@H]1CO.CC(C)(C)N1CCCC[C@H]1CO.CN1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCCN1C.COC(=O)[C@H]1CCCCN1C.COCCN1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C11H24N2O.3C10H21NO.2C8H15NO2.C7H13NO2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-8-6-11(10(3,4)5)7-9(2)12-8;2*1-10(2,3)11-7-5-4-6-9(11)8-12;2*1-9-6-4-3-5-7(9)8(10)11-2;1-8-5-3-2-4-6(8)7(9)10/h5-10H2,1-4H3;8-9H,6-7H2,1-5H3;2*9,12H,4-8H2,1-3H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t;8-,9+;2*9-;2*7-;6-/m..10100/s1
InChIKeyPNBRXFAUFDWLIG-IECKLHAPSA-N
MW1171.79 g/mol
LogP8.05
Rot. Bonds8

About (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid

(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid (PubChem CID 165050023) has the molecular formula C64H130N8O10 and a molecular weight of 1171.79 g/mol. Its IUPAC name is (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid
PubChem CID165050023
Molecular FormulaC64H130N8O10
Molecular Weight1171.79 g/mol
Exact Mass1170.99
IUPAC Name(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid
SMILESCC(C)(C)N1CCCC[C@@H]1CO.CC(C)(C)N1CCCC[C@H]1CO.CN1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCCN1C.COC(=O)[C@H]1CCCCN1C.COCCN1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C11H24N2O.3C10H21NO.2C8H15NO2.C7H13NO2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-8-6-11(10(3,4)5)7-9(2)12-8;2*1-10(2,3)11-7-5-4-6-9(11)8-12;2*1-9-6-4-3-5-7(9)8(10)11-2;1-8-5-3-2-4-6(8)7(9)10/h5-10H2,1-4H3;8-9H,6-7H2,1-5H3;2*9,12H,4-8H2,1-3H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t;8-,9+;2*9-;2*7-;6-/m..10100/s1
InChIKeyPNBRXFAUFDWLIG-IECKLHAPSA-N
XLogP8.05
TPSA174.74 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.79
LogP ≤ 58.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
(1-tert-butylazepan-2-yl)methanol
CID 84660252
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
1-tert-butyl-4-(2-methoxyethyl)piperazine;1-(1-tert-butylpiperidin-3-yl)ethenamine
CID 162256772
2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
CID 23176009
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
CID 160737708
1-O-tert-butyl 2-O-methyl (2R)-4-(2-methoxyethyl)piperazine-1,2-dicarboxylate
CID 170553356
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid (CID 165050023) is (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid is CC(C)(C)N1CCCC[C@@H]1CO.CC(C)(C)N1CCCC[C@H]1CO.CN1CCCC[C@H]1C(=O)O.COC(=O)[C@@H]1CCCCN1C.COC(=O)[C@H]1CCCCN1C.COCCN1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid?
The InChIKey is PNBRXFAUFDWLIG-IECKLHAPSA-N. The full InChI is InChI=1S/C11H24N2O.3C10H21NO.2C8H15NO2.C7H13NO2/c1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-8-6-11(10(3,4)5)7-9(2)12-8;2*1-10(2,3)11-7-5-4-6-9(11)8-12;2*1-9-6-4-3-5-7(9)8(10)11-2;1-8-5-3-2-4-6(8)7(9)10/h5-10H2,1-4H3;8-9H,6-7H2,1-5H3;2*9,12H,4-8H2,1-3H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H,9,10)/t;8-,9+;2*9-;2*7-;6-/m..10100/s1.
What are the key properties of (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid?
(2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid has a molecular weight of 1171.79 g/mol, XLogP of 8.05, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-(2-methoxyethyl)piperazine;[(2R)-1-tert-butylpiperidin-2-yl]methanol;[(2S)-1-tert-butylpiperidin-2-yl]methanol;methyl (2R)-1-methylpiperidine-2-carboxylate;methyl (2S)-1-methylpiperidine-2-carboxylate;(2S)-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 165050023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).