N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine

C15H24N2O — CID 22390870

IUPACN-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)13-18-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyCGRVFRVDHNMDLY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds6

About N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine

N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 22390870) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine
PubChem CID22390870
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(COc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)13-18-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyCGRVFRVDHNMDLY-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Phenoxybutyl)piperidine
CID 2057411
Piperidine, 3-((2-ethoxyphenoxy)methyl)-
CID 3064458
4-Phenoxypiperidine
CID 18878
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533
1-(2-Fluoroethyl)-4-[(4-iodophenoxy)methyl]piperidine
CID 10808677
1-Cyclopropylmethyl-4-(4-iodo-phenoxymethyl)-piperidine
CID 44290508
1-[2-(4-Methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
CID 166634459
1-[4-(2-Methoxyphenoxy)butyl]-4-methylpiperidine
CID 1825305
1-[3-(2,5-Dimethylphenoxy)propyl]piperazine hydrochloride
CID 2943585
1-[4-(2-Methylphenoxy)butyl]piperidine
CID 2057322
N-butyl-4-phenoxy-1-butanamine
CID 2248956

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine (CID 22390870) is N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine is CNCCN1CCC(COc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is CGRVFRVDHNMDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-14(8-11-17)13-18-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3.
What are the key properties of N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine?
N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(phenoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 22390870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).