3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine

C11H24N2O — CID 63974033

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
SMILESCOCC1CCN(C(C)C(C)N)CC1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-4-11(5-7-13)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyZKXIIZLNRSILST-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds4

About 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine

3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine (PubChem CID 63974033) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
PubChem CID63974033
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
SMILESCOCC1CCN(C(C)C(C)N)CC1
InChIInChI=1S/C11H24N2O/c1-9(12)10(2)13-6-4-11(5-7-13)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyZKXIIZLNRSILST-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine
CID 63973438
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
[1-(3-aminobutan-2-yl)azepan-4-yl]methanol
CID 130671113
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63971703
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64569697
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine (CID 63974033) is 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine is COCC1CCN(C(C)C(C)N)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The InChIKey is ZKXIIZLNRSILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(12)10(2)13-6-4-11(5-7-13)8-14-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 63974033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).