2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C17H36N2O — CID 62264057

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCC(OC)CC1
InChIInChI=1S/C17H36N2O/c1-6-9-17(4,13-18-12-15(2)3)14-19-10-7-16(20-5)8-11-19/h15-16,18H,6-14H2,1-5H3
InChIKeyHOZACZKUIOWVFG-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds9

About 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62264057) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID62264057
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCC(OC)CC1
InChIInChI=1S/C17H36N2O/c1-6-9-17(4,13-18-12-15(2)3)14-19-10-7-16(20-5)8-11-19/h15-16,18H,6-14H2,1-5H3
InChIKeyHOZACZKUIOWVFG-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 103539012
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63493459
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 62264057) is 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)CN1CCC(OC)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is HOZACZKUIOWVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-9-17(4,13-18-12-15(2)3)14-19-10-7-16(20-5)8-11-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62264057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).