(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine

C47H99N5 — CID 157231117

IUPAC(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CNCC(C)(C)C1.CC(C)[C@@H]1CNC[C@@H](C)C1.CC(C)[C@@H]1CNC[C@H](C)C1.CC(C)[C@H]1CCC(C)(C)NC1.CC(C)[C@H]1CC[C@H](C)NC1
InChIInChI=1S/2C10H21N.3C9H19N/c1-8(2)9-5-10(3,4)7-11-6-9;1-8(2)9-5-6-10(3,4)11-7-9;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9/h2*8-9,11H,5-7H2,1-4H3;3*7-10H,4-6H2,1-3H3/t2*9-;8-,9+;2*8-,9-/m00100/s1
InChIKeyAUCNLYACRWBGJX-ZIWBJIQZSA-N
MW734.34 g/mol
LogP10.51
Rot. Bonds5

About (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine

(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine (PubChem CID 157231117) has the molecular formula C47H99N5 and a molecular weight of 734.34 g/mol. Its IUPAC name is (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine
PubChem CID157231117
Molecular FormulaC47H99N5
Molecular Weight734.34 g/mol
Exact Mass733.79
IUPAC Name(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CNCC(C)(C)C1.CC(C)[C@@H]1CNC[C@@H](C)C1.CC(C)[C@@H]1CNC[C@H](C)C1.CC(C)[C@H]1CCC(C)(C)NC1.CC(C)[C@H]1CC[C@H](C)NC1
InChIInChI=1S/2C10H21N.3C9H19N/c1-8(2)9-5-10(3,4)7-11-6-9;1-8(2)9-5-6-10(3,4)11-7-9;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9/h2*8-9,11H,5-7H2,1-4H3;3*7-10H,4-6H2,1-3H3/t2*9-;8-,9+;2*8-,9-/m00100/s1
InChIKeyAUCNLYACRWBGJX-ZIWBJIQZSA-N
XLogP10.51
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.34
LogP ≤ 510.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine with MolForge

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Related Compounds

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine;1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 44148487
2,2,6,6-Tetramethyl-4-[1,1,1-tris(2,2,6,6-tetramethylpiperidin-4-yl)butan-2-yl]piperidine
CID 18691677
[3-(Aminomethyl)-1,2,2,3-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]methanamine
CID 20494014
4-[2-[1,1-Bis(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-3-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)pentan-2-yl]-2,2,6,6-tetramethylpiperidine
CID 21666455
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 23218484
2,2,6,6-Tetramethyl-4-[1,1,1,2,2-pentakis(2,2,6,6-tetramethylpiperidin-4-yl)dodecan-3-yl]piperidine
CID 57198690
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
2,9-Dimethyl-2,9-diazaspiro[5.5]undecane;3,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 90996887
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
4-[3,5-Bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
CID 123884106

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine?
The IUPAC name of (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine (CID 157231117) is (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine.
What is the SMILES notation for (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine?
The canonical SMILES for (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine is CC(C)[C@@H]1CNCC(C)(C)C1.CC(C)[C@@H]1CNC[C@@H](C)C1.CC(C)[C@@H]1CNC[C@H](C)C1.CC(C)[C@H]1CCC(C)(C)NC1.CC(C)[C@H]1CC[C@H](C)NC1.
What is the InChIKey of (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine?
The InChIKey is AUCNLYACRWBGJX-ZIWBJIQZSA-N. The full InChI is InChI=1S/2C10H21N.3C9H19N/c1-8(2)9-5-10(3,4)7-11-6-9;1-8(2)9-5-6-10(3,4)11-7-9;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9/h2*8-9,11H,5-7H2,1-4H3;3*7-10H,4-6H2,1-3H3/t2*9-;8-,9+;2*8-,9-/m00100/s1.
What are the key properties of (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine?
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine has a molecular weight of 734.34 g/mol, XLogP of 10.51, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine is sourced from PubChem (CID 157231117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).