N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline

C18H30N2O2 — CID 18002902

IUPACN-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
SMILESCOC1(CCN(C)c2ccc(OC(C)C)cc2)CCNCC1
InChIInChI=1S/C18H30N2O2/c1-15(2)22-17-7-5-16(6-8-17)20(3)14-11-18(21-4)9-12-19-13-10-18/h5-8,15,19H,9-14H2,1-4H3
InChIKeyCYPRHZNELSTMHW-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline

N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline (PubChem CID 18002902) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
PubChem CID18002902
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
SMILESCOC1(CCN(C)c2ccc(OC(C)C)cc2)CCNCC1
InChIInChI=1S/C18H30N2O2/c1-15(2)22-17-7-5-16(6-8-17)20(3)14-11-18(21-4)9-12-19-13-10-18/h5-8,15,19H,9-14H2,1-4H3
InChIKeyCYPRHZNELSTMHW-UHFFFAOYSA-N
XLogP3.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 18002840
4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002858
N-[2-[4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]-N-methyl-4-propan-2-yloxyaniline;dihydrochloride
CID 21300896
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
1-[2-(4-fluorophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 15550327
4-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 21300628
1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 21300668
1-[2-(4-fluorophenoxy)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300652
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
1-[2-(4-bromophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002847
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-(2-phenoxyethyl)piperidin-4-ol;dihydrochloride
CID 21300860

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline (CID 18002902) is N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline is COC1(CCN(C)c2ccc(OC(C)C)cc2)CCNCC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline?
The InChIKey is CYPRHZNELSTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)22-17-7-5-16(6-8-17)20(3)14-11-18(21-4)9-12-19-13-10-18/h5-8,15,19H,9-14H2,1-4H3.
What are the key properties of N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline?
N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline has a molecular weight of 306.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 18002902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).