N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine

C23H33N3O — CID 24732616

IUPACN-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCN2CCC(NCc3cccc(N(C)C)c3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-25(2)22-6-4-5-20(17-22)18-24-21-12-15-26(16-13-21)14-11-19-7-9-23(27-3)10-8-19/h4-10,17,21,24H,11-16,18H2,1-3H3
InChIKeyDAYCKTFSPUHBHK-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.56
Rot. Bonds8

About N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine

N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine (PubChem CID 24732616) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
PubChem CID24732616
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCN2CCC(NCc3cccc(N(C)C)c3)CC2)cc1
InChIInChI=1S/C23H33N3O/c1-25(2)22-6-4-5-20(17-22)18-24-21-12-15-26(16-13-21)14-11-19-7-9-23(27-3)10-8-19/h4-10,17,21,24H,11-16,18H2,1-3H3
InChIKeyDAYCKTFSPUHBHK-UHFFFAOYSA-N
XLogP3.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
Para-methoxybutyryl fentanyl
CID 118796493
N-(4-Methoxybenzyl)aniline
CID 408377
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine (CID 24732616) is N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine is COc1ccc(CCN2CCC(NCc3cccc(N(C)C)c3)CC2)cc1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine?
The InChIKey is DAYCKTFSPUHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-25(2)22-6-4-5-20(17-22)18-24-21-12-15-26(16-13-21)14-11-19-7-9-23(27-3)10-8-19/h4-10,17,21,24H,11-16,18H2,1-3H3.
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine?
N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine has a molecular weight of 367.54 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 24732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).