N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine

C17H28N2O — CID 63250259

IUPACN-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCCOc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-15-7-5-9-17(13-15)20-12-6-11-19-10-4-3-8-16(19)14-18-2/h5,7,9,13,16,18H,3-4,6,8,10-12,14H2,1-2H3
InChIKeyBTZSQAALUFNKPV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine (PubChem CID 63250259) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
PubChem CID63250259
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1CCCOc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-15-7-5-9-17(13-15)20-12-6-11-19-10-4-3-8-16(19)14-18-2/h5,7,9,13,16,18H,3-4,6,8,10-12,14H2,1-2H3
InChIKeyBTZSQAALUFNKPV-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate
CID 19803901
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255
1-[1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490979
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
1-[6-(3-methylphenoxy)hexyl]pyrrolidine
CID 2057335
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine (CID 63250259) is N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine is CNCC1CCCCN1CCCOc1cccc(C)c1.
What is the InChIKey of N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine?
The InChIKey is BTZSQAALUFNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-7-5-9-17(13-15)20-12-6-11-19-10-4-3-8-16(19)14-18-2/h5,7,9,13,16,18H,3-4,6,8,10-12,14H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63250259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).