[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine

C15H24N2O2 — CID 102956615

IUPAC[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCOC1CCCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-18-15-3-2-8-17(12-15)9-10-19-14-6-4-13(11-16)5-7-14/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyROUBVYKVMFONHS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds6

About [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine

[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine (PubChem CID 102956615) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
PubChem CID102956615
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
SMILESCOC1CCCN(CCOc2ccc(CN)cc2)C1
InChIInChI=1S/C15H24N2O2/c1-18-15-3-2-8-17(12-15)9-10-19-14-6-4-13(11-16)5-7-14/h4-7,15H,2-3,8-12,16H2,1H3
InChIKeyROUBVYKVMFONHS-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
4-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarboximidamide
CID 102958539
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
ethane;[3-[3-[3-(3-methoxypiperidin-1-yl)propoxy]propyl]phenyl]methanamine
CID 142364751
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[4-(aminomethyl)phenoxy]-3-(3-methoxypyrrolidin-1-yl)propan-2-ol
CID 103531177

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine (CID 102956615) is [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine is COC1CCCN(CCOc2ccc(CN)cc2)C1.
What is the InChIKey of [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine?
The InChIKey is ROUBVYKVMFONHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-15-3-2-8-17(12-15)9-10-19-14-6-4-13(11-16)5-7-14/h4-7,15H,2-3,8-12,16H2,1H3.
What are the key properties of [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine?
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 102956615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).