[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine

C15H24N2O — CID 68709013

IUPAC[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CCCC(C)(COc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O/c1-15(7-4-8-17(2)11-15)12-18-14-6-3-5-13(9-14)10-16/h3,5-6,9H,4,7-8,10-12,16H2,1-2H3
InChIKeyFYGOBKJGKODLNQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds4

About [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine

[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine (PubChem CID 68709013) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine
PubChem CID68709013
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine
SMILESCN1CCCC(C)(COc2cccc(CN)c2)C1
InChIInChI=1S/C15H24N2O/c1-15(7-4-8-17(2)11-15)12-18-14-6-3-5-13(9-14)10-16/h3,5-6,9H,4,7-8,10-12,16H2,1-2H3
InChIKeyFYGOBKJGKODLNQ-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314
8-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075708
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
[3-[2-(4,4-dimethylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 114340709
[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120772767
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878

Frequently Asked Questions

What is the IUPAC name of [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine (CID 68709013) is [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine is CN1CCCC(C)(COc2cccc(CN)c2)C1.
What is the InChIKey of [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine?
The InChIKey is FYGOBKJGKODLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(7-4-8-17(2)11-15)12-18-14-6-3-5-13(9-14)10-16/h3,5-6,9H,4,7-8,10-12,16H2,1-2H3.
What are the key properties of [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine?
[3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,3-dimethylpiperidin-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 68709013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).