2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine

C18H30N2O3 — CID 77097842

IUPAC2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1cccc(CN2CCC(OC)CC2)c1OCCN(C)C
InChIInChI=1S/C18H30N2O3/c1-19(2)12-13-23-18-15(6-5-7-17(18)22-4)14-20-10-8-16(21-3)9-11-20/h5-7,16H,8-14H2,1-4H3
InChIKeyKCWUXBLMOHUSEL-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.25
Rot. Bonds8

About 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine

2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 77097842) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
PubChem CID77097842
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1cccc(CN2CCC(OC)CC2)c1OCCN(C)C
InChIInChI=1S/C18H30N2O3/c1-19(2)12-13-23-18-15(6-5-7-17(18)22-4)14-20-10-8-16(21-3)9-11-20/h5-7,16H,8-14H2,1-4H3
InChIKeyKCWUXBLMOHUSEL-UHFFFAOYSA-N
XLogP2.25
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70706140
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
(6S)-6-benzyl-4-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 137338513
1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682335
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
1-[(3-cyclopropyloxy-2-fluorophenyl)methyl]-4-methoxypiperidine
CID 138034260
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
CID 171396283
4-(2,6-dimethoxyphenoxy)-N,N-dimethylbutan-1-amine
CID 2181134
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine (CID 77097842) is 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine is COc1cccc(CN2CCC(OC)CC2)c1OCCN(C)C.
What is the InChIKey of 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is KCWUXBLMOHUSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-19(2)12-13-23-18-15(6-5-7-17(18)22-4)14-20-10-8-16(21-3)9-11-20/h5-7,16H,8-14H2,1-4H3.
What are the key properties of 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine?
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 322.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 77097842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).