[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine

C12H26N2O2 — CID 112621903

IUPAC[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine
SMILESCOCCC(C)N1CCC(OC)CC1CN
InChIInChI=1S/C12H26N2O2/c1-10(5-7-15-2)14-6-4-12(16-3)8-11(14)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyGQSTZNOKQXWICU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds6

About [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine

[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine (PubChem CID 112621903) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine
PubChem CID112621903
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine
SMILESCOCCC(C)N1CCC(OC)CC1CN
InChIInChI=1S/C12H26N2O2/c1-10(5-7-15-2)14-6-4-12(16-3)8-11(14)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyGQSTZNOKQXWICU-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine (CID 112621903) is [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine is COCCC(C)N1CCC(OC)CC1CN.
What is the InChIKey of [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine?
The InChIKey is GQSTZNOKQXWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(5-7-15-2)14-6-4-12(16-3)8-11(14)9-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine?
[4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(4-methoxybutan-2-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112621903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).