1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine

C12H26N2O — CID 116502167

IUPAC1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
SMILESCOCC(C)CN1CCCC(C(C)N)C1
InChIInChI=1S/C12H26N2O/c1-10(9-15-3)7-14-6-4-5-12(8-14)11(2)13/h10-12H,4-9,13H2,1-3H3
InChIKeyRCDDHLHRFCIKDH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine

1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine (PubChem CID 116502167) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
PubChem CID116502167
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
SMILESCOCC(C)CN1CCCC(C(C)N)C1
InChIInChI=1S/C12H26N2O/c1-10(9-15-3)7-14-6-4-5-12(8-14)11(2)13/h10-12H,4-9,13H2,1-3H3
InChIKeyRCDDHLHRFCIKDH-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925518
1-[1-(2-ethylhexyl)piperidin-3-yl]ethanamine
CID 55258928
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
5-(3-methoxypiperidin-1-yl)-4-methylpentan-1-amine
CID 102963876
1-[[3-(1-aminoethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65208581
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
(2S)-4-[(2S)-3-methoxy-2-methylpropyl]-2-methylmorpholine
CID 121401096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine (CID 116502167) is 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine is COCC(C)CN1CCCC(C(C)N)C1.
What is the InChIKey of 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine?
The InChIKey is RCDDHLHRFCIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-15-3)7-14-6-4-5-12(8-14)11(2)13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine?
1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 116502167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).