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

C12H26N2O — CID 80544205

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
SMILESCOCC1CCN(CC(C)CCN)CC1
InChIInChI=1S/C12H26N2O/c1-11(3-6-13)9-14-7-4-12(5-8-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyFNYSHKQFOUDQOR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds6

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

4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine (PubChem CID 80544205) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
PubChem CID80544205
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
SMILESCOCC1CCN(CC(C)CCN)CC1
InChIInChI=1S/C12H26N2O/c1-11(3-6-13)9-14-7-4-12(5-8-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyFNYSHKQFOUDQOR-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-cyclopropyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971523
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
3-methyl-4-thiomorpholin-4-ylbutan-1-amine
CID 80544101

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine (CID 80544205) is 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine is COCC1CCN(CC(C)CCN)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine?
The InChIKey is FNYSHKQFOUDQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(3-6-13)9-14-7-4-12(5-8-14)10-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine?
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 80544205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).