N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine

C22H30N2O — CID 118759688

IUPACN-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCN(CCc1ccccc1)Cc1ccc(OCC2CCCNC2)cc1
InChIInChI=1S/C22H30N2O/c1-24(15-13-19-6-3-2-4-7-19)17-20-9-11-22(12-10-20)25-18-21-8-5-14-23-16-21/h2-4,6-7,9-12,21,23H,5,8,13-18H2,1H3
InChIKeyMTAPRRBTCXIYLO-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.74
Rot. Bonds8

About N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine

N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 118759688) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID118759688
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCN(CCc1ccccc1)Cc1ccc(OCC2CCCNC2)cc1
InChIInChI=1S/C22H30N2O/c1-24(15-13-19-6-3-2-4-7-19)17-20-9-11-22(12-10-20)25-18-21-8-5-14-23-16-21/h2-4,6-7,9-12,21,23H,5,8,13-18H2,1H3
InChIKeyMTAPRRBTCXIYLO-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(phenoxymethyl)piperidine
CID 26190643
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N'-benzyl-N'-methyl-N-(piperidin-3-ylmethyl)propane-1,3-diamine
CID 80553136
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
4-phenyl-1-[[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methyl]piperidine
CID 125156876

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine (CID 118759688) is N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine is CN(CCc1ccccc1)Cc1ccc(OCC2CCCNC2)cc1.
What is the InChIKey of N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is MTAPRRBTCXIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-24(15-13-19-6-3-2-4-7-19)17-20-9-11-22(12-10-20)25-18-21-8-5-14-23-16-21/h2-4,6-7,9-12,21,23H,5,8,13-18H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine?
N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 338.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[[4-(piperidin-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 118759688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).