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

C17H28N2O — CID 106586416

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
SMILESCOCC1CCCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(16-8-4-3-5-9-16)17(11-18)19-10-6-7-15(12-19)13-20-2/h3-5,8-9,14-15,17H,6-7,10-13,18H2,1-2H3
InChIKeyZYAGGTHMXWWSPH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.48
Rot. Bonds6

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

2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine (PubChem CID 106586416) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
PubChem CID106586416
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
SMILESCOCC1CCCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-14(16-8-4-3-5-9-16)17(11-18)19-10-6-7-15(12-19)13-20-2/h3-5,8-9,14-15,17H,6-7,10-13,18H2,1-2H3
InChIKeyZYAGGTHMXWWSPH-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-amine
CID 64569900
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine (CID 106586416) is 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine is COCC1CCCN(C(CN)C(C)c2ccccc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine?
The InChIKey is ZYAGGTHMXWWSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(16-8-4-3-5-9-16)17(11-18)19-10-6-7-15(12-19)13-20-2/h3-5,8-9,14-15,17H,6-7,10-13,18H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine?
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine is sourced from PubChem (CID 106586416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).