2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol

C25H36N2O3 — CID 42463612

IUPAC2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3ccc(OCCO)cc3)CC2)cc1
InChIInChI=1S/C25H36N2O3/c1-26(19-22-5-9-25(10-6-22)30-18-17-28)20-23-12-15-27(16-13-23)14-11-21-3-7-24(29-2)8-4-21/h3-10,23,28H,11-20H2,1-2H3
InChIKeyJDHYFTMYUNSQAD-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.45
Rot. Bonds11

About 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol

2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol (PubChem CID 42463612) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
PubChem CID42463612
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol
SMILESCOc1ccc(CCN2CCC(CN(C)Cc3ccc(OCCO)cc3)CC2)cc1
InChIInChI=1S/C25H36N2O3/c1-26(19-22-5-9-25(10-6-22)30-18-17-28)20-23-12-15-27(16-13-23)14-11-21-3-7-24(29-2)8-4-21/h3-10,23,28H,11-20H2,1-2H3
InChIKeyJDHYFTMYUNSQAD-UHFFFAOYSA-N
XLogP3.45
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 42122231
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 72928817
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 25293570
1-[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N-methylmethanamine
CID 42094947
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 45177698
1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 42240373
4-[4-[[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 42357192

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol (CID 42463612) is 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol is COc1ccc(CCN2CCC(CN(C)Cc3ccc(OCCO)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol?
The InChIKey is JDHYFTMYUNSQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-26(19-22-5-9-25(10-6-22)30-18-17-28)20-23-12-15-27(16-13-23)14-11-21-3-7-24(29-2)8-4-21/h3-10,23,28H,11-20H2,1-2H3.
What are the key properties of 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol?
2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol has a molecular weight of 412.57 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 42463612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).