2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine

C46H93N5 — CID 164985879

IUPAC2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCCN(C(C)C)C1
InChIInChI=1S/2C10H19N.2C9H19N.C8H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h2*8-10H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGDQKWQCMASNNON-UHFFFAOYSA-N
MW716.28 g/mol
LogP10.81
Rot. Bonds5

About 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine

2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine (PubChem CID 164985879) has the molecular formula C46H93N5 and a molecular weight of 716.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
PubChem CID164985879
Molecular FormulaC46H93N5
Molecular Weight716.28 g/mol
Exact Mass715.74
IUPAC Name2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
SMILESCC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCCN(C(C)C)C1
InChIInChI=1S/2C10H19N.2C9H19N.C8H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h2*8-10H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGDQKWQCMASNNON-UHFFFAOYSA-N
XLogP10.81
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.28
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

3-Propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 157644157
Carbanide;10,12-dimethyl-6-azoniaspiro[5.6]dodecane;11,12-dimethyl-6-azoniaspiro[5.6]dodecane;6,7,8,9,10,11-hexamethyl-5-azoniaspiro[4.6]undecane;7-methyl-6-azoniaspiro[5.6]dodecane;10-methyl-6-azoniaspiro[5.6]dodecane;11-methyl-6-azoniaspiro[5.6]dodecane;6,7,9,10,11-pentamethyl-5-azoniaspiro[4.6]undecane
CID 157710910
1,3-Dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;2-ethyl-1-methylpiperidine;3-ethyl-1-methylpiperidine;4-ethyl-1-methylpiperidine
CID 158593855
Carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
CID 158632587
1-Tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-piperidin-1-ylethyl)piperidine;3-tert-butyl-8-pyrrolidin-1-yl-3-azabicyclo[3.2.1]octane
CID 158897788
3,5-Dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
CID 158907796
Carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 159092012
Bis(1,2-di(propan-2-yl)azepane);pentakis(1,2-di(propan-2-yl)piperidine);1,2-di(propan-2-yl)pyrrolidine
CID 159205798
Ethane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 159592269
Carbanide;1,5-dimethyl-6-azoniaspiro[5.6]dodecane;2,4-dimethyl-6-azoniaspiro[5.6]dodecane;3,4-dimethyl-6-azoniaspiro[5.6]dodecane;1,4,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,4,5-trimethyl-6-azoniaspiro[5.6]dodecane;3,4,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 160300782
9-Propan-2-yl-9-azabicyclo[3.3.1]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 160353705
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160395778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?
The IUPAC name of 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine (CID 164985879) is 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine.
What is the SMILES notation for 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?
The canonical SMILES for 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine is CC(C)N1C2CCCC1CC2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCCCC1.CC(C)N1CCCCC1C.CC1CCCN(C(C)C)C1.
What is the InChIKey of 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?
The InChIKey is GDQKWQCMASNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2C9H19N.C8H17N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h2*8-10H,3-7H2,1-2H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine?
2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine has a molecular weight of 716.28 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine is sourced from PubChem (CID 164985879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).